Geometry & MOs

Info

ID:

109177

PubChem CID:

50275470

Reduced:

ClFO4N5H35C36 (1)

Stoich.:

ABC4D5E35F36 (1)

Weight, g/mol:

669.251811

ΔHf, kcal/mol:

-142.4

Dipole, Da:

7.44

IP(EA), eV:

 -8.63(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]-1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)Cl)C)F

DOS

IR

Vibrations