Geometry & MOs

Info

ID:	142377
PubChem CID:	53024409
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-8.85
Dipole, Da:	5.73
IP(EA), eV:	-8.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl(methyl)amino]-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3=CC=CN3C4=CN=CC=C4

DOS

IR

Vibrations