Geometry & MOs

Info

ID:

111495

PubChem CID:

50370307

Reduced:

ClO4N5C35H46 (1)

Stoich.:

AB4C5D35E46 (1)

Weight, g/mol:

595.292532

ΔHf, kcal/mol:

-190.73

Dipole, Da:

10.72

IP(EA), eV:

 -8.8(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC4CCCC4)C(=O)NC5CCCCC5

DOS

IR

Vibrations