Geometry & MOs

Info

ID:	36803
PubChem CID:	8012894
Reduced:	ClNSO3C21H22 (1)
Stoich.:	ABCD3E21F22 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-106.87
Dipole, Da:	6.8
IP(EA), eV:	-9.07(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H]1CCCC2=CC=CC=C12)OC(=O)C3=C(C=CC(=C3)SC)Cl

DOS

IR

Vibrations