Geometry & MOs

Info

ID:	366976
PubChem CID:	127322430
Reduced:	NS2O4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	374.166414
ΔH_f, kcal/mol:	-158.28
Dipole, Da:	3.38
IP(EA), eV:	-9.34(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-azaspiro[5.5]undec-9-en-2-ylsulfonyl)-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)N2CCCC3(C2)CCC=CC3

DOS

IR

Vibrations