Geometry & MOs

Info

ID:	42743
PubChem CID:	8149943
Reduced:	OSN3C19H29 (1)
Stoich.:	ABC3D19E29 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-58.71
Dipole, Da:	3.32
IP(EA), eV:	-8.6(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)CN3CCC(CC3)C)C

DOS

IR

Vibrations