Geometry & MOs

Info

ID:	38387
PubChem CID:	8034459
Reduced:	NO4C22H24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	361.088498
ΔH_f, kcal/mol:	-85.38
Dipole, Da:	12.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.885017
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCOC)CC4=CC=CC=C4

DOS

IR

Vibrations