Geometry & MOs

Info

ID:	33415
PubChem CID:	7886341
Reduced:	O3C10H11 (2)
Stoich.:	A3B10C11 (2)
Weight, g/mol:	409.128255
ΔH_f, kcal/mol:	-201.19
Dipole, Da:	1.61
IP(EA), eV:	-8.61(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations