Geometry & MOs

Info

ID:

94147

PubChem CID:

49998738

Reduced:

N6O7C38H52 (1)

Stoich.:

A6B7C38D52 (1)

Weight, g/mol:

730.441784

ΔHf, kcal/mol:

-290.81

Dipole, Da:

6.61

IP(EA), eV:

 -8.83(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC

DOS

IR

Vibrations