Geometry & MOs

Info

ID:	64072
PubChem CID:	29195992
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	391.113269
ΔH_f, kcal/mol:	-84.82
Dipole, Da:	2.02
IP(EA), eV:	-8.84(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]butanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC2=CC=CC=C2C1)NC(=O)/C=C/C3=CC=C(C=C3)OC

DOS

IR

Vibrations