Geometry & MOs

Info

ID:	203412
PubChem CID:	79827483
Reduced:	NSO2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	-62.32
Dipole, Da:	3.91
IP(EA), eV:	-8.67(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(6-amino-5-nitropyridin-2-yl)amino]-4-ethylhexanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CC(C2=CC=CC=C2COC)O

DOS

IR

Vibrations