Geometry & MOs

Info

ID:	174607
PubChem CID:	75792193
Reduced:	OSN3C17H25 (1)
Stoich.:	ABC3D17E25 (1)
Weight, g/mol:	393.187484
ΔH_f, kcal/mol:	-50.83
Dipole, Da:	4.23
IP(EA), eV:	-8.16(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(N=C1NC(C)CC)SC3=C2CCCC3

DOS

IR

Vibrations