Geometry & MOs

Info

ID:

109627

PubChem CID:

50292216

Reduced:

ClFO4N5C30H31 (1)

Stoich.:

ABC4D5E30F31 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-169.49

Dipole, Da:

7.95

IP(EA), eV:

 -9.04(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C(=O)NC)Cl

DOS

IR

Vibrations