Geometry & MOs

Info

ID:	196079
PubChem CID:	78776261
Reduced:	NO2H12C13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	363.104148
ΔH_f, kcal/mol:	-100.6
Dipole, Da:	2.69
IP(EA), eV:	-8.57(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzothiazol-2-yl)-N-[4-(dimethylamino)phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations