Geometry & MOs

Info

ID:	120732
PubChem CID:	50742442
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-104.61
Dipole, Da:	5.36
IP(EA), eV:	-9.16(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-diazepan-1-yl)-4-methyl-5-(4-methylphenyl)-1,2-thiazole 1,1-dioxide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C(=O)C(=N2)C)CC(=O)O

DOS

IR

Vibrations