Geometry & MOs

Info

ID:

108046

PubChem CID:

50227766

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

597.331505

ΔHf, kcal/mol:

-209.28

Dipole, Da:

12.9

IP(EA), eV:

 -8.84(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[(2-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC)C

DOS

IR

Vibrations