Geometry & MOs

Info

ID:

340105

PubChem CID:

127262114

Reduced:

N6O9C43H64 (1)

Stoich.:

A6B9C43D64 (1)

Weight, g/mol:

510.259068

ΔHf, kcal/mol:

-442.78

Dipole, Da:

8.14

IP(EA), eV:

 -8.65(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(2S)-1,6-diamino-1-oxohexan-2-yl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCCCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)CCCCCNC=O

DOS

IR

Vibrations