Geometry & MOs

Info

ID:	42683
PubChem CID:	8149863
Reduced:	FSN3O4C19H20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	371.146762
ΔH_f, kcal/mol:	-171.15
Dipole, Da:	2.75
IP(EA), eV:	-9.0(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-2-[(1S)-1-(3-fluoro-4-methylanilino)ethyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCC2=NC3=C(C(=C(S3)C(=O)OCCOC)C)C(=O)N2)F

DOS

IR

Vibrations