Geometry & MOs

Info

ID:	162505
PubChem CID:	57394884
Reduced:	SN2H20C23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	415.99426
ΔH_f, kcal/mol:	80.9
Dipole, Da:	1.69
IP(EA), eV:	-8.42(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-3-(1-prop-2-enylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SC2=CC=CC=C2)NC3=CC=CC4=C3C=CC(=N4)C

DOS

IR

Vibrations