Geometry & MOs

Info

ID:	46296
PubChem CID:	10523780
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	379.070071
ΔH_f, kcal/mol:	-76.77
Dipole, Da:	6.37
IP(EA), eV:	-8.27(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-hydroxy-5-methylphenyl)-7-methyl-4H-1,4-benzothiazin-2-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCC2CCCCC2)C(=O)NC3=CC=CC=C3N

DOS

IR

Vibrations