Geometry & MOs

Info

ID:

95880

PubChem CID:

50016237

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

617.276883

ΔHf, kcal/mol:

-182.66

Dipole, Da:

6.92

IP(EA), eV:

 -8.76(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-chlorobenzoyl)amino]phenyl]-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)NC3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)F)C

DOS

IR

Vibrations