Geometry & MOs

Info

ID:

107625

PubChem CID:

50211314

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-163.15

Dipole, Da:

5.06

IP(EA), eV:

 -8.42(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-chlorobenzoyl)amino]-4-methylphenyl]-1-[1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C)C

DOS

IR

Vibrations