Geometry & MOs

Info

ID:	33398
PubChem CID:	7886255
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	376.051562
ΔH_f, kcal/mol:	-34.34
Dipole, Da:	3.43
IP(EA), eV:	-9.05(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1C(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations