Geometry & MOs

Info

ID:	33442
PubChem CID:	7886487
Reduced:	ClFOS2N3H15C18 (1)
Stoich.:	ABCD2E3F15G18 (1)
Weight, g/mol:	391.062461
ΔH_f, kcal/mol:	-29.91
Dipole, Da:	5.86
IP(EA), eV:	-9.01(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC(=O)NC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations