Geometry & MOs

Info

ID:	43008
PubChem CID:	10317720
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	-149.78
Dipole, Da:	5.51
IP(EA), eV:	-8.65(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1-methyl-4-[2-(1-methylindol-2-yl)-2-oxoethyl]-4H-pyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)S(=O)(=O)N)C(=O)NC[C@@H]2CCCN3[C@@H]2CCCC3

DOS

IR

Vibrations