Geometry & MOs

Info

ID:

115767

PubChem CID:

50533394

Reduced:

ClSO4N7C28H40 (1)

Stoich.:

ABC4D7E28F40 (1)

Weight, g/mol:

647.267461

ΔHf, kcal/mol:

-162.91

Dipole, Da:

15.29

IP(EA), eV:

 -8.61(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=NN=C(S3)C(C)C)Cl

DOS

IR

Vibrations