Geometry & MOs

Info

ID:

176526

PubChem CID:

76062355

Reduced:

NO4C15H26 (2)

Stoich.:

AB4C15D26 (2)

Weight, g/mol:

753.356006

ΔHf, kcal/mol:

-445.15

Dipole, Da:

8.11

IP(EA), eV:

 -10.16(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[4-[4-(benzenesulfonyl)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NC(CC=CCC(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations