Geometry & MOs

Info

ID:

104596

PubChem CID:

50104682

Reduced:

ClO5N6C31H33 (1)

Stoich.:

AB5C6D31E33 (1)

Weight, g/mol:

618.235746

ΔHf, kcal/mol:

-166.84

Dipole, Da:

5.1

IP(EA), eV:

 -8.89(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[4-chloro-2-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations