Geometry & MOs

Info

ID:

340051

PubChem CID:

127262060

Reduced:

P2N5O15C22H35 (1)

Stoich.:

A2B5C15D22E35 (1)

Weight, g/mol:

540.208095

ΔHf, kcal/mol:

-777.02

Dipole, Da:

5.39

IP(EA), eV:

 -9.7(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)N)OP(=O)(O)O

DOS

IR

Vibrations