Geometry & MOs

Info

ID:	85164
PubChem CID:	49872183
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	324.117058
ΔH_f, kcal/mol:	43.83
Dipole, Da:	7.08
IP(EA), eV:	-8.52(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-amino-N-[4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1(C(N(C2=CC=CC=C21)C)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations