Geometry & MOs

Info

ID:

94387

PubChem CID:

50000569

Reduced:

NOC7H9 (6)

Stoich.:

ABC7D9 (6)

Weight, g/mol:

708.376597

ΔHf, kcal/mol:

-239.72

Dipole, Da:

17.1

IP(EA), eV:

 -8.5(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-3-oxopropyl]-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)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)OC)C

DOS

IR

Vibrations