Geometry & MOs

Info

ID:	132875
PubChem CID:	51436819
Reduced:	Cl3N3O3H14C18 (1)
Stoich.:	A3B3C3D14E18 (1)
Weight, g/mol:	474.175933
ΔH_f, kcal/mol:	-96.98
Dipole, Da:	3.76
IP(EA), eV:	-9.33(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1-cyanocyclohexyl)-2-[[3-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C(=CC=C2)Cl)Cl)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations