Geometry & MOs

Info

ID:	283903
PubChem CID:	104019144
Reduced:	BrOSN2H7C9 (1)
Stoich.:	ABCD2E7F9 (1)
Weight, g/mol:	303.055674
ΔH_f, kcal/mol:	33.34
Dipole, Da:	2.0
IP(EA), eV:	-8.87(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CC1=C(C=CO1)SC2=NC=C(C=N2)Br

DOS

IR

Vibrations