Geometry & MOs

Info

ID:	369811
PubChem CID:	127335766
Reduced:	S2O3N4C14H22 (1)
Stoich.:	A2B3C4D14E22 (1)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	-91.29
Dipole, Da:	7.37
IP(EA), eV:	-8.7(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCN(CC1)CC(=O)NC2=NC3=C(S2)CCC3

DOS

IR

Vibrations