Geometry & MOs

Info

ID:	70157
PubChem CID:	47208178
Reduced:	ClOSN2F3H8C12 (1)
Stoich.:	ABCD2E3F8G12 (1)
Weight, g/mol:	289.052112
ΔH_f, kcal/mol:	-158.71
Dipole, Da:	6.95
IP(EA), eV:	-9.3(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations