Geometry & MOs

Info

ID:	135692
PubChem CID:	51917354
Reduced:	FN2O7H19C20 (1)
Stoich.:	AB2C7D19E20 (1)
Weight, g/mol:	466.174001
ΔH_f, kcal/mol:	-192.98
Dipole, Da:	10.87
IP(EA), eV:	-8.93(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (1S,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)/C=C/C2=C(C(=CC=C2)OC)OC

DOS

IR

Vibrations