Geometry & MOs

Info

ID:	434599
PubChem CID:	135175293
Reduced:	BrF2N3O4C21H28 (1)
Stoich.:	AB2C3D4E21F28 (1)
Weight, g/mol:	709.218876
ΔH_f, kcal/mol:	-272.31
Dipole, Da:	3.22
IP(EA), eV:	-9.11(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-[4-(4-chlorophenyl)-3-methoxyphenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

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)N1C[C@H]2CN(C[C@H]2C1)C(=O)C(C(C3=CC(=C(C=C3)Br)OC)(F)F)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)N1C[C@H]2CN(C[C@H]2C1)C(=O)C(C(C3=CC(=C(C=C3)Br)OC)(F)F)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):