Geometry & MOs

Info

ID:	358968
PubChem CID:	127296859
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	383.144967
ΔH_f, kcal/mol:	-87.29
Dipole, Da:	0.93
IP(EA), eV:	-8.79(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC=CC(C1)N2C(=O)C3(CCSCC3)NC2=O

DOS

IR

Vibrations