Geometry & MOs

Info

ID:	272924
PubChem CID:	103767562
Reduced:	ClNSO3C15H22 (1)
Stoich.:	ABCD3E15F22 (1)
Weight, g/mol:	299.130363
ΔH_f, kcal/mol:	-137.28
Dipole, Da:	3.46
IP(EA), eV:	-9.0(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCCSCCCO)OC1=CC=C(C=C1)Cl

DOS

IR

Vibrations