Geometry & MOs

Info

ID:	145606
PubChem CID:	53555687
Reduced:	BrSN2O3C16H19 (1)
Stoich.:	ABC2D3E16F19 (1)
Weight, g/mol:	334.055818
ΔH_f, kcal/mol:	-89.26
Dipole, Da:	3.05
IP(EA), eV:	-8.85(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-methoxy-4-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-1,3-thiazol-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)NS(=O)(=O)C)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations