Geometry & MOs

Info

ID:	78649
PubChem CID:	49703421
Reduced:	SN4O6C22H22 (1)
Stoich.:	AB4C6D22E22 (1)
Weight, g/mol:	477.201219
ΔH_f, kcal/mol:	-166.7
Dipole, Da:	10.86
IP(EA), eV:	-9.23(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-[2-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanoylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations