Geometry & MOs

Info

ID:

90642

PubChem CID:

49970849

Reduced:

SO4N5C33H45 (1)

Stoich.:

AB4C5D33E45 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-163.72

Dipole, Da:

6.02

IP(EA), eV:

 -8.31(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(butan-2-ylcarbamoyl)-5-chloroanilino]-2-oxoethyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations