Geometry & MOs

Info

ID:	27256
PubChem CID:	819945
Reduced:	ClSN2O3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	303.021769
ΔH_f, kcal/mol:	-93.95
Dipole, Da:	5.8
IP(EA), eV:	-9.14(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,6-dichlorophenyl)methyl]indole-3-carbaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(NC1=O)C2=CC=C(C=C2)Cl)SC

DOS

IR

Vibrations