Geometry & MOs

Info

ID:

96860

PubChem CID:

50025235

Reduced:

FO5N6C39H49 (1)

Stoich.:

AB5C6D39E49 (1)

Weight, g/mol:

702.329646

ΔHf, kcal/mol:

-237.7

Dipole, Da:

2.14

IP(EA), eV:

 -8.74(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC=C3C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations