Geometry & MOs

Info

ID:	231643
PubChem CID:	87574364
Reduced:	SN3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	526.215095
ΔH_f, kcal/mol:	25.06
Dipole, Da:	1.88
IP(EA), eV:	-8.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[3-[6-amino-5-(1,3-benzothiazol-2-yl)pyridin-3-yl]benzoyl]piperazin-1-yl]pyrrolidin-1-yl]acetaldehyde

Drug info:

PubChemData

Smile

CCC1=C2CC(CC2=CC3=C1N=C(S3)N)N

DOS

IR

Vibrations