Geometry & MOs

Info

ID:

102510

PubChem CID:

50067886

Reduced:

F4O4N5C36H39 (1)

Stoich.:

A4B4C5D36E39 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-336.94

Dipole, Da:

9.84

IP(EA), eV:

 -8.72(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1-[1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(F)(F)F)F

DOS

IR

Vibrations