Geometry & MOs

Info

ID:

109959

PubChem CID:

50303103

Reduced:

N6O7C33H44 (1)

Stoich.:

A6B7C33D44 (1)

Weight, g/mol:

634.347883

ΔHf, kcal/mol:

-263.91

Dipole, Da:

4.15

IP(EA), eV:

 -8.74(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-(cyclopentylcarbamoyl)-2-methoxyanilino]-2-oxoethyl]-1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)OC)C(=O)N(C)C

DOS

IR

Vibrations