Geometry & MOs

Info

ID:	178645
PubChem CID:	76361419
Reduced:	SN2O2C22H24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	369.151098
ΔH_f, kcal/mol:	-17.34
Dipole, Da:	6.99
IP(EA), eV:	-9.11(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetamidophenyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)C(=O)C=CC3=CC=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations