Geometry & MOs

Info

ID:

96978

PubChem CID:

50026722

Reduced:

NOC7H8 (6)

Stoich.:

ABC7D8 (6)

Weight, g/mol:

736.313996

ΔHf, kcal/mol:

-191.42

Dipole, Da:

4.8

IP(EA), eV:

 -8.42(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-chlorobenzoyl)amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations