Geometry & MOs

Info

ID:	335501
PubChem CID:	127254363
Reduced:	SN4O4H14C16 (1)
Stoich.:	AB4C4D14E16 (1)
Weight, g/mol:	367.171834
ΔH_f, kcal/mol:	-75.87
Dipole, Da:	6.44
IP(EA), eV:	-8.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-6-pyrrol-1-ylhexan-1-one

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=O)C(=CN3)OC

DOS

IR

Vibrations