Geometry & MOs

Info

ID:

114858

PubChem CID:

50499443

Reduced:

ClO4N5C34H38 (1)

Stoich.:

AB4C5D34E38 (1)

Weight, g/mol:

633.251811

ΔHf, kcal/mol:

-130.29

Dipole, Da:

8.05

IP(EA), eV:

 -8.95(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations