Geometry & MOs

Info

ID:	203463
PubChem CID:	79834180
Reduced:	NSO2C13H27 (1)
Stoich.:	ABC2D13E27 (1)
Weight, g/mol:	259.103085
ΔH_f, kcal/mol:	-132.14
Dipole, Da:	5.9
IP(EA), eV:	-9.15(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,4-dimethyl-3,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCCC1(CCCCC1(C)C)N

DOS

IR

Vibrations