Geometry & MOs

Info

ID:	133663
PubChem CID:	51570705
Reduced:	SF2O3N7H13C14 (1)
Stoich.:	AB2C3D7E13F14 (1)
Weight, g/mol:	398.13521
ΔH_f, kcal/mol:	20.15
Dipole, Da:	7.61
IP(EA), eV:	-9.21(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-6-nitrochromen-2-ylidene]azanium

Drug info:

PubChemData

Smile

CCSC1=NN=C(N1/N=C\C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-])C(F)F

DOS

IR

Vibrations