Geometry & MOs

Info

ID:

110434

PubChem CID:

50324273

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

646.291511

ΔHf, kcal/mol:

-203.23

Dipole, Da:

5.82

IP(EA), eV:

 -8.68(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[4-[(2-fluorobenzoyl)amino]-3-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)NC(=O)C4CCCCC4)C(=O)N(C)C

DOS

IR

Vibrations