Geometry & MOs

Info

ID:	25042
PubChem CID:	617581
Reduced:	SN3H19C23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	369.129969
ΔH_f, kcal/mol:	101.89
Dipole, Da:	4.44
IP(EA), eV:	-8.15(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-indol-3-ylmethyl)-4-(5-methyl-1,3-benzothiazol-2-yl)aniline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NCC4=CNC5=CC=CC=C54

DOS

IR

Vibrations