Geometry & MOs

Info

ID:

105159

PubChem CID:

50106514

Reduced:

N3O3C17H20 (2)

Stoich.:

A3B3C17D20 (2)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-209.97

Dipole, Da:

9.17

IP(EA), eV:

 -8.38(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[4-[(2-fluorobenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations