Geometry & MOs

Info

ID:	207975
PubChem CID:	80476255
Reduced:	SN2O2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	384.95543
ΔH_f, kcal/mol:	-10.1
Dipole, Da:	1.05
IP(EA), eV:	-8.38(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-sulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(C2=CN=CS2)N)OC

DOS

IR

Vibrations