Geometry & MOs

Info

ID:

189138

PubChem CID:

77821852

Reduced:

N5O7C29H47 (1)

Stoich.:

A5B7C29D47 (1)

Weight, g/mol:

621.356006

ΔHf, kcal/mol:

-308.05

Dipole, Da:

3.8

IP(EA), eV:

 -9.7(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-amino-2-[8-[[1-[benzenesulfonyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamoylamino]-9-oxo-9-pyrrolidin-1-ylnonyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NCC=C)NC(=O)C1CC(CN1C(=O)C(C(C)(C)C)NC(=O)NC(C(C)C)C(=O)C2CC2)O

DOS

IR

Vibrations