Geometry & MOs

Info

ID:	342658
PubChem CID:	127265818
Reduced:	NSO3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	324.114378
ΔH_f, kcal/mol:	-87.26
Dipole, Da:	6.14
IP(EA), eV:	-8.82(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-4-[3-(2-nitrophenyl)prop-2-enyl]-1,4-thiazepane 1,1-dioxide

Drug info:

PubChemData

Smile

CC1CCN(CCS1(=O)=O)CC=CC2=CC=CC=C2OC

DOS

IR

Vibrations