Geometry & MOs

Info

ID:

118274

PubChem CID:

50636774

Reduced:

Cl2O4N5C33H37 (1)

Stoich.:

A2B4C5D33E37 (1)

Weight, g/mol:

635.267461

ΔHf, kcal/mol:

-143.39

Dipole, Da:

9.74

IP(EA), eV:

 -8.67(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)Cl

DOS

IR

Vibrations