Geometry & MOs

Info

ID:	405743
PubChem CID:	135075288
Reduced:	ClSO2N3H10C13 (1)
Stoich.:	ABC2D3E10F13 (1)
Weight, g/mol:	411.150429
ΔH_f, kcal/mol:	18.67
Dipole, Da:	2.71
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[2-(2-propan-2-ylphenyl)sulfanyl-1H-indol-3-yl]methyl]propanedioate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)N2C(=O)CSC2=NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations