Geometry & MOs

Info

ID:

117126

PubChem CID:

50591644

Reduced:

ClN5O5C34H46 (1)

Stoich.:

AB5C5D34E46 (1)

Weight, g/mol:

663.23791

ΔHf, kcal/mol:

-219.92

Dipole, Da:

9.47

IP(EA), eV:

 -8.88(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-chlorobenzoyl)amino]phenyl]-1-[1-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCCC4

DOS

IR

Vibrations