Geometry & MOs

Info

ID:

91626

PubChem CID:

49977681

Reduced:

N6O7C33H44 (1)

Stoich.:

A6B7C33D44 (1)

Weight, g/mol:

702.410483

ΔHf, kcal/mol:

-279.49

Dipole, Da:

8.7

IP(EA), eV:

 -8.4(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C)OC

DOS

IR

Vibrations