Geometry & MOs

Info

ID:	33403
PubChem CID:	7886282
Reduced:	S2O3N4C19H24 (1)
Stoich.:	A2B3C4D19E24 (1)
Weight, g/mol:	349.128255
ΔH_f, kcal/mol:	-96.59
Dipole, Da:	2.46
IP(EA), eV:	-8.85(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-pentan-2-yl]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4

DOS

IR

Vibrations