Geometry & MOs

Info

ID:	166448
PubChem CID:	74689377
Reduced:	NO2C5H5 (3)
Stoich.:	AB2C5D5 (3)
Weight, g/mol:	486.214821
ΔH_f, kcal/mol:	-127.28
Dipole, Da:	9.78
IP(EA), eV:	-9.88(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]azaniumyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)C(=CO2)C=CC3=NC(=O)NC(=O)C3[N+](=O)[O-]

DOS

IR

Vibrations