Geometry & MOs

Info

ID:	182649
PubChem CID:	76918072
Reduced:	SN2O2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	323.112605
ΔH_f, kcal/mol:	-17.16
Dipole, Da:	9.2
IP(EA), eV:	-9.41(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfanyl]-6-propyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CN(CCC#N)CC1=C(C=CS1)C=CC(=O)O

DOS

IR

Vibrations