Geometry & MOs

Info

ID:	165331
PubChem CID:	74533344
Reduced:	SN3O3H21C23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	407.164068
ΔH_f, kcal/mol:	-57.81
Dipole, Da:	4.21
IP(EA), eV:	-8.57(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-(4-ethylphenyl)sulfonylpiperazine-1-carbonyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)CCNC(=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations