Geometry & MOs

Info

ID:	64079
PubChem CID:	29196030
Reduced:	SN3O3H25C28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	451.15772
ΔH_f, kcal/mol:	-23.79
Dipole, Da:	5.99
IP(EA), eV:	-8.31(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,3-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C[C@H]2C(=O)N(C(=NC3=CC=CC4=CC=CC=C43)S2)CC5=CC=CO5

DOS

IR

Vibrations