Geometry & MOs

Info

ID:	79351
PubChem CID:	49748185
Reduced:	ClN2S2O4C21H23 (1)
Stoich.:	AB2C2D4E21F23 (1)
Weight, g/mol:	490.132921
ΔH_f, kcal/mol:	-105.55
Dipole, Da:	2.4
IP(EA), eV:	-9.16(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone

Drug info:

PubChemData

Smile

C1CC1(C2=CC=CS2)C(=O)N3CCC4(CC3)N(CCO4)S(=O)(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations