Geometry & MOs

Info

ID:

93699

PubChem CID:

49996123

Reduced:

O5N6C42H54 (1)

Stoich.:

A5B6C42D54 (1)

Weight, g/mol:

722.415569

ΔHf, kcal/mol:

-204.7

Dipole, Da:

7.89

IP(EA), eV:

 -8.48(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[4-[(3-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations