Geometry & MOs

Info

ID:

116906

PubChem CID:

50580347

Reduced:

ClF2O5N6C36H41 (1)

Stoich.:

AB2C5D6E36F41 (1)

Weight, g/mol:

748.290674

ΔHf, kcal/mol:

-272.04

Dipole, Da:

7.67

IP(EA), eV:

 -9.04(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-chlorobenzoyl)amino]-3-methylanilino]-3-oxopropyl]-1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=C(C=C4)F)F)C)Cl

DOS

IR

Vibrations