Geometry & MOs

Info

ID:	46203
PubChem CID:	10523094
Reduced:	N5O7C14H19 (1)
Stoich.:	A5B7C14D19 (1)
Weight, g/mol:	369.060569
ΔH_f, kcal/mol:	-230.86
Dipole, Da:	13.17
IP(EA), eV:	-9.13(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(6-methyl-4-oxo-3,1-benzothiazin-2-yl)carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)CO)O

DOS

IR

Vibrations