Geometry & MOs

Info

ID:	22726
PubChem CID:	598414
Reduced:	OSN2C7H10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	170.051384
ΔH_f, kcal/mol:	-31.67
Dipole, Da:	2.06
IP(EA), eV:	-9.61(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-sulfanyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC2C(C1)N=C(NC2=O)S

DOS

IR

Vibrations