Geometry & MOs

Info

ID:	64062
PubChem CID:	29195948
Reduced:	SN3O3C24H29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	411.199191
ΔH_f, kcal/mol:	-95.17
Dipole, Da:	5.04
IP(EA), eV:	-8.46(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C[C@H]2C(=O)N(C(=NC3=C(C=CC=C3C)C)S2)CCOC

DOS

IR

Vibrations