Geometry & MOs

Info

ID:	200067
PubChem CID:	79342838
Reduced:	BrOSN2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	368.00549
ΔH_f, kcal/mol:	-30.85
Dipole, Da:	3.44
IP(EA), eV:	-8.94(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-(ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)SC1=C(C=C2C(C(=O)NC2=C1)N)Br

DOS

IR

Vibrations