Geometry & MOs

Info

ID:	27710
PubChem CID:	823199
Reduced:	NSO2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	289.088498
ΔH_f, kcal/mol:	-34.66
Dipole, Da:	5.19
IP(EA), eV:	-8.78(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-oxo-3-prop-2-enyl-6H-1,3,4-thiadiazin-5-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)N2C[C@@H](OC2=S)COC3=CC=CC=C3

DOS

IR

Vibrations