Geometry & MOs

Info

ID:	128390
PubChem CID:	51042575
Reduced:	N5O6C23H27 (1)
Stoich.:	A5B6C23D27 (1)
Weight, g/mol:	413.175595
ΔH_f, kcal/mol:	-148.33
Dipole, Da:	10.38
IP(EA), eV:	-8.79(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-1-benzyl-3-(diethoxyphosphorylmethylidene)-5-propan-2-ylindol-2-one

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2C(=O)N1NC(=O)CCN3CCN(CC3)C(=O)C4=CC=CO4)OC)OC

DOS

IR

Vibrations