Geometry & MOs

Info

ID:

104491

PubChem CID:

50104403

Reduced:

ClO5N6C31H33 (1)

Stoich.:

AB5C6D31E33 (1)

Weight, g/mol:

618.260211

ΔHf, kcal/mol:

-164.6

Dipole, Da:

5.43

IP(EA), eV:

 -8.93(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[4-[(2-fluorobenzoyl)amino]-3-methoxyanilino]-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=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations