Geometry & MOs

Info

ID:	32905
PubChem CID:	7849328
Reduced:	SN3O4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	385.098394
ΔH_f, kcal/mol:	-105.6
Dipole, Da:	5.12
IP(EA), eV:	-9.27(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCC#N)C[C@@H]3CCCO3

DOS

IR

Vibrations