Geometry & MOs

Info

ID:	340138
PubChem CID:	127262147
Reduced:	ClO3N4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	510.222683
ΔH_f, kcal/mol:	-127.94
Dipole, Da:	4.76
IP(EA), eV:	-9.21(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-[2-[[(2S)-2-aminopropanoyl]amino]acetyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N([C@@H](CCCCN)C(=O)CCl)[C@@H](CC1=CC=CC=C1)C(=O)N)N

DOS

IR

Vibrations