Geometry & MOs

Info

ID:	437629
PubChem CID:	135226736
Reduced:	FO4N5C30H40 (1)
Stoich.:	AB4C5D30E40 (1)
Weight, g/mol:	515.290783
ΔH_f, kcal/mol:	-171.44
Dipole, Da:	4.15
IP(EA), eV:	-8.36(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(2S)-3-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-2-fluorophenyl]-1-amino-1-oxopropan-2-yl]carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)OC(=O)N1[C@@H](C2CCC1C2)C(=O)N[C@@H](CC3=C(C=C(C=C3)N4CCC5C4CN(C5)C6COC6)F)C#N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)OC(=O)N1[C@@H](C2CCC1C2)C(=O)N[C@@H](CC3=C(C=C(C=C3)N4CCC5C4CN(C5)C6COC6)F)C#N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):