Geometry & MOs

Info

ID:	340053
PubChem CID:	127262062
Reduced:	O5N7C19H27 (1)
Stoich.:	A5B7C19D27 (1)
Weight, g/mol:	495.223017
ΔH_f, kcal/mol:	-95.71
Dipole, Da:	11.69
IP(EA), eV:	-8.94(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-benzoyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H]1C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCCN=C(N)N)C(=O)N

DOS

IR

Vibrations