Geometry & MOs

Info

ID:	193913
PubChem CID:	78455519
Reduced:	FSN2O4H14C18 (1)
Stoich.:	ABC2D4E14F18 (1)
Weight, g/mol:	353.086784
ΔH_f, kcal/mol:	-110.32
Dipole, Da:	3.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770705
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N=[N+](C2=O)CC(=O)OCCSC3=CC=CC=C3F

DOS

IR

Vibrations