Geometry & MOs

Info

ID:	350149
PubChem CID:	127277227
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	360.114378
ΔH_f, kcal/mol:	-59.23
Dipole, Da:	2.98
IP(EA), eV:	-8.9(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCN(C2=CC=CC=C2C1)C

DOS

IR

Vibrations