Geometry & MOs

Info

ID:

104334

PubChem CID:

50104058

Reduced:

N3O3C16H18 (2)

Stoich.:

A3B3C16D18 (2)

Weight, g/mol:

618.260211

ΔHf, kcal/mol:

-197.29

Dipole, Da:

7.83

IP(EA), eV:

 -8.76(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[2-fluoro-5-[(4-methoxybenzoyl)amino]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=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations