Geometry & MOs

Info

ID:	268238
PubChem CID:	103598535
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	388.153541
ΔH_f, kcal/mol:	-58.71
Dipole, Da:	6.67
IP(EA), eV:	-9.13(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyridine-4-carbonylamino)ethyl 3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C=CC(=O)N(CC2CCCO2)CC3=CC=CO3

DOS

IR

Vibrations