Geometry & MOs

Info

ID:	144429
PubChem CID:	53367857
Reduced:	NS2O3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	414.058711
ΔH_f, kcal/mol:	-78.82
Dipole, Da:	2.08
IP(EA), eV:	-8.32(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)C2C3=C(C=CS3)NC(=O)CS2)OC

DOS

IR

Vibrations