Geometry & MOs

Info

ID:	174959
PubChem CID:	75839184
Reduced:	S2N3O3C19H34 (1)
Stoich.:	A2B3C3D19E34 (1)
Weight, g/mol:	380.089187
ΔH_f, kcal/mol:	-166.83
Dipole, Da:	9.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755000
Charge, e:	-1

Chem-info

IUPAC name:

(4-ethoxycarbonylpyrazolidin-3-yl)sulfonyl-[4-methyl-3-(trifluoromethyl)phenyl]azanide

Drug info:

PubChemData

Smile

CCCC[N+]1=C(NC(=C1C)C)SCC(=O)N(CCCC)C2CCS(=O)(=O)C2

DOS

IR

Vibrations