Geometry & MOs

Info

ID:	67475
PubChem CID:	46506543
Reduced:	N2S2O3H20C22 (1)
Stoich.:	A2B2C3D20E22 (1)
Weight, g/mol:	462.124943
ΔH_f, kcal/mol:	-37.35
Dipole, Da:	3.6
IP(EA), eV:	-8.74(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(Z)-(1-benzyl-2,2,4-trioxo-2lambda6,1-benzothiazin-3-ylidene)methyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)/C(=C/NCC4=CC=CS4)/S2(=O)=O

DOS

IR

Vibrations