Geometry & MOs

Info

ID:	38795
PubChem CID:	8137935
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	386.000717
ΔH_f, kcal/mol:	-105.41
Dipole, Da:	6.08
IP(EA), eV:	-8.66(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCCCCNC(=O)C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations