Geometry & MOs

Info

ID:	224109
PubChem CID:	85338298
Reduced:	F2N3O5C35H43 (1)
Stoich.:	A2B3C5D35E43 (1)
Weight, g/mol:	518.231791
ΔH_f, kcal/mol:	-298.33
Dipole, Da:	12.17
IP(EA), eV:	-9.11(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-[2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=C(C=C1)C)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(C(C(C)C(=O)NCC3=CC=CC=C3)O)O

DOS

IR

Vibrations