Geometry & MOs

Info

ID:	72498
PubChem CID:	48416240
Reduced:	NSO6C21H25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	415.210721
ΔH_f, kcal/mol:	-217.8
Dipole, Da:	3.59
IP(EA), eV:	-8.63(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(1-butyl-6-oxopyridazine-3-carbonyl)amino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)OC

DOS

IR

Vibrations