Geometry & MOs

Info

ID:

111475

PubChem CID:

50369776

Reduced:

O5N6C40H56 (1)

Stoich.:

A5B6C40D56 (1)

Weight, g/mol:

738.410483

ΔHf, kcal/mol:

-244.48

Dipole, Da:

8.55

IP(EA), eV:

 -8.5(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-methoxybenzoyl)amino]-3-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)NC(=O)C5CCCCC5)C

DOS

IR

Vibrations