Geometry & MOs

Info

ID:

106345

PubChem CID:

50158669

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

740.345296

ΔHf, kcal/mol:

-230.78

Dipole, Da:

9.41

IP(EA), eV:

 -8.71(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(phenylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations