Geometry & MOs

Info

ID:	38682
PubChem CID:	8137435
Reduced:	FSN3O4C14H18 (1)
Stoich.:	ABC3D4E14F18 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-170.67
Dipole, Da:	2.89
IP(EA), eV:	-9.65(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCC(=O)NC1CC1)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations