Geometry & MOs

Info

ID:

105519

PubChem CID:

50111164

Reduced:

N3O3C16H22 (2)

Stoich.:

A3B3C16D22 (2)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-255.75

Dipole, Da:

7.8

IP(EA), eV:

 -8.34(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-methyl-1-[4-methyl-3-[(2-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C(C)C

DOS

IR

Vibrations