Geometry & MOs

Info

ID:	298448
PubChem CID:	117649579
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	752.179515
ΔH_f, kcal/mol:	-98.05
Dipole, Da:	3.96
IP(EA), eV:	-8.56(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

amino 4-[[4-(4-ethoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-6-[(4-formamidophenyl)hydrazinylidene]-5-oxo-7-(2-sulfamoyloxyethyl)naphthalene-2-sulfonate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C[C@@H](C(=O)C(C)C)NC(C)C)OC

DOS

IR

Vibrations