Geometry & MOs

Info

ID:	79653
PubChem CID:	49829855
Reduced:	SF2N2O3H16C21 (1)
Stoich.:	AB2C2D3E16F21 (1)
Weight, g/mol:	408.106984
ΔH_f, kcal/mol:	-95.73
Dipole, Da:	9.02
IP(EA), eV:	-8.4(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6aR)-6a-(3-nitrophenyl)-4,6-dioxo-5-phenyl-1,3a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=C(C(=O)C2=C(C=C(C=C2)F)F)[N+]3=CC=CC(=C3)[O-])S

DOS

IR

Vibrations