Geometry & MOs

Info

ID:	142078
PubChem CID:	52977153
Reduced:	FON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	492.067445
ΔH_f, kcal/mol:	-29.93
Dipole, Da:	2.6
IP(EA), eV:	-8.17(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-[3-(3,4-dimethoxyphenyl)iminoquinoxalin-2-ylidene]-8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1C2C(C3=C(CCCC3=O)NC2NN1)C4=C(N(C(=C4)C)C5=CC=C(C=C5)F)C

DOS

IR

Vibrations