Geometry & MOs

Info

ID:	195016
PubChem CID:	78622081
Reduced:	NSO3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	383.119129
ΔH_f, kcal/mol:	-118.98
Dipole, Da:	5.69
IP(EA), eV:	-9.29(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC(C)C3CC3

DOS

IR

Vibrations