Geometry & MOs

Info

ID:

117937

PubChem CID:

50621108

Reduced:

ClFO3N4C30H32 (1)

Stoich.:

ABC3D4E30F32 (1)

Weight, g/mol:

768.259374

ΔHf, kcal/mol:

-138.52

Dipole, Da:

6.38

IP(EA), eV:

 -8.58(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[(2-methylbenzoyl)amino]phenyl]-1-[1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4C)F

DOS

IR

Vibrations