Geometry & MOs

Info

ID:	79340
PubChem CID:	49748151
Reduced:	ClSN2O4C22H23 (1)
Stoich.:	ABC2D4E22F23 (1)
Weight, g/mol:	454.052084
ΔH_f, kcal/mol:	-111.48
Dipole, Da:	7.07
IP(EA), eV:	-9.52(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(3,5-dichlorophenyl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC12N(CCO2)S(=O)(=O)C3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4Cl

DOS

IR

Vibrations