Geometry & MOs

Info

ID:	115308
PubChem CID:	50518272
Reduced:	ClFO4N5C24H27 (1)
Stoich.:	ABC4D5E24F27 (1)
Weight, g/mol:	500.219033
ΔH_f, kcal/mol:	-196.39
Dipole, Da:	10.5
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations