Geometry & MOs

Info

ID:	41197
PubChem CID:	8145438
Reduced:	FS2N5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	83.92
Dipole, Da:	7.56
IP(EA), eV:	-8.44(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C(=S)N=C(N2)C3=CC=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations