Geometry & MOs

Info

ID:

106663

PubChem CID:

50172175

Reduced:

ClO4N5C36H48 (1)

Stoich.:

AB4C5D36E48 (1)

Weight, g/mol:

657.308183

ΔHf, kcal/mol:

-196.78

Dipole, Da:

4.98

IP(EA), eV:

 -8.88(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(2-methylbenzoyl)amino]phenyl]-1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5CCCCC5

DOS

IR

Vibrations