Geometry & MOs

Info

ID:	360340
PubChem CID:	127300983
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	383.177982
ΔH_f, kcal/mol:	21.16
Dipole, Da:	1.84
IP(EA), eV:	-8.94(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzothiazol-2-yl(methyl)amino]-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)N3CCCC3C4=C(N(N=C4C)C)C

DOS

IR

Vibrations