Geometry & MOs

Info

ID:

340065

PubChem CID:

127262074

Reduced:

O5N6C19H26 (1)

Stoich.:

A5B6C19D26 (1)

Weight, g/mol:

639.276509

ΔHf, kcal/mol:

-173.22

Dipole, Da:

10.61

IP(EA), eV:

 -9.5(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S)-3-methyl-2-[(4-nitrobenzoyl)amino]butanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)/C=C\C(=O)O

DOS

IR

Vibrations