Geometry & MOs

Info

ID:	242534
PubChem CID:	97301886
Reduced:	NO2C15H17 (2)
Stoich.:	AB2C15D17 (2)
Weight, g/mol:	428.209341
ΔH_f, kcal/mol:	-20.99
Dipole, Da:	4.96
IP(EA), eV:	-8.82(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxyethyl (2R)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\[N+](=O)[O-])/C3=CC=C(C=C3)OCCCCCN4CCCC4

DOS

IR

Vibrations