Geometry & MOs

Info

ID:	42626
PubChem CID:	8149788
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	367.171834
ΔH_f, kcal/mol:	-78.95
Dipole, Da:	3.2
IP(EA), eV:	-8.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)[C@H](C)OC2=CC3=C(C=C2)OC4=CC=CC=C43

DOS

IR

Vibrations