Geometry & MOs

Info

ID:	39703
PubChem CID:	8141988
Reduced:	S2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-74.37
Dipole, Da:	1.69
IP(EA), eV:	-8.83(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,5-dimethoxyphenyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C

DOS

IR

Vibrations