Geometry & MOs

Info

ID:	165034
PubChem CID:	74487824
Reduced:	SO3N5C25H33 (1)
Stoich.:	AB3C5D25E33 (1)
Weight, g/mol:	478.258006
ΔH_f, kcal/mol:	-53.8
Dipole, Da:	9.69
IP(EA), eV:	-8.78(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-methoxyethyl)-5-(4-methylpent-2-enylamino)-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1CC(NN1)CNC(=O)C2=CC(=CC(=C2)S(=O)(=O)NC3=CC=CC=C3)NCC4CCC=CC4

DOS

IR

Vibrations