Geometry & MOs

Info

ID:	168621
PubChem CID:	74996444
Reduced:	N3F4O4C20H21 (1)
Stoich.:	A3B4C4D20E21 (1)
Weight, g/mol:	440.036145
ΔH_f, kcal/mol:	-308.31
Dipole, Da:	13.02
IP(EA), eV:	-8.92(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis[amino-(2-nitrophenyl)sulfanylmethylidene]butanedinitrile

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1N3CCC(C3)(CN)C(F)(F)F)F)C(=O)C(=CN2C4CC4)C(=O)O

DOS

IR

Vibrations