Geometry & MOs

Info

ID:	115123
PubChem CID:	50510303
Reduced:	FSO4N6C28H31 (1)
Stoich.:	ABC4D6E28F31 (1)
Weight, g/mol:	536.199047
ΔH_f, kcal/mol:	-151.22
Dipole, Da:	8.72
IP(EA), eV:	-8.87(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-[1-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=NC=CS3)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations