Geometry & MOs

Info

ID:	449020
PubChem CID:	135295264
Reduced:	OSN5H19C20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	403.183067
ΔH_f, kcal/mol:	91.11
Dipole, Da:	3.58
IP(EA), eV:	-8.81(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dihydropyridin-4-yl)-N-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]pyridin-2-yl]-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C#CC1=CC2=C(C=C1)N=C(S2)NC3=NC=CC(=C3)C(=O)NCC4CCCN4

DOS

IR

Vibrations