Geometry & MOs

Info

ID:	136236
PubChem CID:	52004580
Reduced:	SO2N6C18H20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	350.120132
ΔH_f, kcal/mol:	12.69
Dipole, Da:	3.59
IP(EA), eV:	-8.45(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-1,3-benzothiazol-6-yl)-3-(7-methylindazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C1C(=O)NCC(=O)N3CCN(CC3)C4=NC=CC=N4)SC=C2

DOS

IR

Vibrations