Geometry & MOs

Info

ID:	340017
PubChem CID:	127262026
Reduced:	N4O9C30H34 (1)
Stoich.:	A4B9C30D34 (1)
Weight, g/mol:	418.22162
ΔH_f, kcal/mol:	-341.61
Dipole, Da:	6.91
IP(EA), eV:	-9.51(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]-ethylamino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-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

CC1=CC(=O)OC2=C1C=CC(=C2)N([C@@H](CC(=O)N)C(=O)O)C(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3

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

CC1=CC(=O)OC2=C1C=CC(=C2)N([C@@H](CC(=O)N)C(=O)O)C(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):