Geometry & MOs

Info

ID:	33388
PubChem CID:	7886216
Reduced:	FSO2N3H16C21 (1)
Stoich.:	ABC2D3E16F21 (1)
Weight, g/mol:	387.087533
ΔH_f, kcal/mol:	-39.71
Dipole, Da:	2.52
IP(EA), eV:	-9.16(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(S2)N=CN(C3=O)CC(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations