Geometry & MOs

Info

ID:	42649
PubChem CID:	8149815
Reduced:	SN3O4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	367.171834
ΔH_f, kcal/mol:	-128.01
Dipole, Da:	5.03
IP(EA), eV:	-8.86(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NCC2=NC3=C(C(=C(S3)C(=O)OCCOC)C)C(=O)N2

DOS

IR

Vibrations