Geometry & MOs

Info

ID:	31982
PubChem CID:	3727027
Reduced:	SCl2N2O3H14C17 (1)
Stoich.:	AB2C2D3E14F17 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-63.01
Dipole, Da:	5.75
IP(EA), eV:	-9.32(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC2=C(C=C1)NC(=C2C=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations