Geometry & MOs

Info

ID:

107893

PubChem CID:

50223154

Reduced:

N6O6C33H44 (1)

Stoich.:

A6B6C33D44 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-238.67

Dipole, Da:

7.07

IP(EA), eV:

 -8.82(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(cyclohexylcarbamoyl)-6-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCOCC2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC)C

DOS

IR

Vibrations