Geometry & MOs

Info

ID:

95607

PubChem CID:

50010643

Reduced:

ClO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

569.300205

ΔHf, kcal/mol:

-131.41

Dipole, Da:

3.68

IP(EA), eV:

 -8.5(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations