Geometry & MOs

Info

ID:	195737
PubChem CID:	78729478
Reduced:	SN2O2H20C24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	415.099063
ΔH_f, kcal/mol:	30.14
Dipole, Da:	1.22
IP(EA), eV:	-8.91(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C2=NC3=CC=CC=C3S2)C(=O)C=CC4=CC(=CC=C4)OC

DOS

IR

Vibrations