Geometry & MOs

Info

ID:	168018
PubChem CID:	74913047
Reduced:	NSO3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	462.161329
ΔH_f, kcal/mol:	-61.13
Dipole, Da:	5.29
IP(EA), eV:	-8.48(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxy-6,7,8,9-tetrahydrodibenzofuran-2-yl)but-2-enamide

Drug info:

PubChemData

Smile

CC1=C(OC2=CC(=C(C=C12)C(=CC(=O)NCC3=CC=CS3)C)OC)C

DOS

IR

Vibrations