Geometry & MOs

Info

ID:	234533
PubChem CID:	92298623
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-125.12
Dipole, Da:	3.75
IP(EA), eV:	-9.5(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-[[(2S)-oxolan-2-yl]methyl]-3-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]indol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)COC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations