Geometry & MOs

Info

ID:

104275

PubChem CID:

50103904

Reduced:

FSO4N5C35H40 (1)

Stoich.:

ABC4D5E35F40 (1)

Weight, g/mol:

633.251811

ΔHf, kcal/mol:

-165.01

Dipole, Da:

4.86

IP(EA), eV:

 -8.39(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-[1-[1-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=CC=C5)SC

DOS

IR

Vibrations