Geometry & MOs

Info

ID:

106938

PubChem CID:

50181714

Reduced:

N6O7C34H46 (1)

Stoich.:

A6B7C34D46 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-279.22

Dipole, Da:

12.84

IP(EA), eV:

 -8.81(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[(2-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)OC)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations