Geometry & MOs

Info

ID:

108545

PubChem CID:

50249014

Reduced:

ClFO4N5C35H41 (1)

Stoich.:

ABC4D5E35F41 (1)

Weight, g/mol:

647.267461

ΔHf, kcal/mol:

-198.83

Dipole, Da:

9.72

IP(EA), eV:

 -8.75(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]-1-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations