Geometry & MOs

Info

ID:	59658
PubChem CID:	24892130
Reduced:	O2S2N5H19C20 (1)
Stoich.:	A2B2C5D19E20 (1)
Weight, g/mol:	404.086449
ΔH_f, kcal/mol:	19.9
Dipole, Da:	6.58
IP(EA), eV:	-8.76(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CN=CC=C4

DOS

IR

Vibrations