Geometry & MOs

Info

ID:	40875
PubChem CID:	8144886
Reduced:	FSN3O4C19H25 (1)
Stoich.:	ABC3D4E19F25 (1)
Weight, g/mol:	362.060425
ΔH_f, kcal/mol:	-135.5
Dipole, Da:	8.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.777242
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(4-chlorophenyl)-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl]methylamino]-N-methylacetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)OC(=N2)[C@H](C)OC3=CC=C(C=C3)F

DOS

IR

Vibrations