Geometry & MOs

Info

ID:	62139
PubChem CID:	26717726
Reduced:	SN6O6H18C22 (1)
Stoich.:	AB6C6D18E22 (1)
Weight, g/mol:	466.246772
ΔH_f, kcal/mol:	-0.09
Dipole, Da:	5.8
IP(EA), eV:	-9.16(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC=C(O3)COC4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations