Geometry & MOs

Info

ID:

120384

PubChem CID:

50725152

Reduced:

ClFO4N5H35C36 (1)

Stoich.:

ABC4D5E35F36 (1)

Weight, g/mol:

669.251811

ΔHf, kcal/mol:

-152.84

Dipole, Da:

5.98

IP(EA), eV:

 -8.59(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=C(C=C5)F)C

DOS

IR

Vibrations