Geometry & MOs

Info

ID:	79345
PubChem CID:	49748163
Reduced:	NSO2C10H11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	448.112664
ΔH_f, kcal/mol:	-94.93
Dipole, Da:	7.29
IP(EA), eV:	-9.14(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfonyl)-8-[(E)-2-phenylethenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

Drug info:

PubChemData

Smile

C1CN(CCC12N(CCO2)S(=O)(=O)C3=CC=CC=C3)C(=O)/C=C/C4=CSC=C4

DOS

IR

Vibrations