Geometry & MOs

Info

ID:	144432
PubChem CID:	53368208
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	391.120192
ΔH_f, kcal/mol:	-91.89
Dipole, Da:	7.02
IP(EA), eV:	-9.22(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

COCC1=NN=C(S1)NC(=O)C2(CCOCC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations