Geometry & MOs

Info

ID:

93472

PubChem CID:

49995001

Reduced:

N5O5C39H49 (1)

Stoich.:

A5B5C39D49 (1)

Weight, g/mol:

667.37337

ΔHf, kcal/mol:

-185.2

Dipole, Da:

7.53

IP(EA), eV:

 -8.38(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]-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)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations