Geometry & MOs

Info

ID:	142442
PubChem CID:	53034796
Reduced:	BrSN2O2H17C21 (1)
Stoich.:	ABC2D2E17F21 (1)
Weight, g/mol:	440.01941
ΔH_f, kcal/mol:	18.94
Dipole, Da:	3.23
IP(EA), eV:	-8.79(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2,6-dimethylphenyl) 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)OC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

DOS

IR

Vibrations