Geometry & MOs

Info

ID:	340012
PubChem CID:	127262021
Reduced:	NOC3H5 (5)
Stoich.:	ABC3D5 (5)
Weight, g/mol:	455.212846
ΔH_f, kcal/mol:	-233.36
Dipole, Da:	6.64
IP(EA), eV:	-9.5(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-[(2-acetamidoacetyl)amino]acetyl]-N-[2-[[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)CC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C

DOS

IR

Vibrations