Geometry & MOs

Info

ID:	134215
PubChem CID:	51663364
Reduced:	S2N3O5C24H27 (1)
Stoich.:	A2B3C5D24E27 (1)
Weight, g/mol:	395.139567
ΔH_f, kcal/mol:	-154.61
Dipole, Da:	10.27
IP(EA), eV:	-8.61(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3S,4S)-2-benzyl-3-(1H-indol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C[C@H]2C(=O)N(C(=NS(=O)(=O)C3=CC=CC=C3)S2)C4CCCCC4

DOS

IR

Vibrations