Geometry & MOs

Info

ID:

111275

PubChem CID:

50360504

Reduced:

N6O7C33H42 (1)

Stoich.:

A6B7C33D42 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-257.95

Dipole, Da:

3.61

IP(EA), eV:

 -8.99(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)N4CCOCC4)C(=O)N5CCOCC5

DOS

IR

Vibrations