Geometry & MOs

Info

ID:

109192

PubChem CID:

50275968

Reduced:

ClFO4N5C36H41 (1)

Stoich.:

ABC4D5E36F41 (1)

Weight, g/mol:

649.246725

ΔHf, kcal/mol:

-191.94

Dipole, Da:

9.05

IP(EA), eV:

 -8.62(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)C)F)C)Cl

DOS

IR

Vibrations