Geometry & MOs

Info

ID:	423439
PubChem CID:	135119502
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	302.083747
ΔH_f, kcal/mol:	-15.71
Dipole, Da:	4.85
IP(EA), eV:	-8.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)C2=C(N=CC=C2)N3CC(C3)C4=CC=CC=N4)OC

DOS

IR

Vibrations