Geometry & MOs

Info

ID:

104106

PubChem CID:

50091680

Reduced:

Cl2O4N5C33H37 (1)

Stoich.:

A2B4C5D33E37 (1)

Weight, g/mol:

647.21072

ΔHf, kcal/mol:

-151.94

Dipole, Da:

10.19

IP(EA), eV:

 -8.4(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-bromoanilino)-3-oxopropyl]-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations