Geometry & MOs

Info

ID:

223864

PubChem CID:

85335675

Reduced:

N3O9C33H35 (1)

Stoich.:

A3B9C33D35 (1)

Weight, g/mol:

617.280926

ΔHf, kcal/mol:

-171.76

Dipole, Da:

6.52

IP(EA), eV:

 -8.4(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-N-[2-[[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)OC1=C(C=CC(=C1)C=CC(=O)OCCCCO[N+](=O)[O-])OC)OCC2=NN(C3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations