Geometry & MOs

Info

ID:	369810
PubChem CID:	127335765
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	358.113333
ΔH_f, kcal/mol:	16.41
Dipole, Da:	3.4
IP(EA), eV:	-8.47(-0.28)
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-methylsulfonyl-1,4-diazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1C2=CC=CN2CCN1CC(=O)NC3=NC4=C(S3)CCC4

DOS

IR

Vibrations