Geometry & MOs

Info

ID:	122899
PubChem CID:	50826032
Reduced:	SO2N5C24H31 (1)
Stoich.:	AB2C5D24E31 (1)
Weight, g/mol:	473.165224
ΔH_f, kcal/mol:	-37.76
Dipole, Da:	11.94
IP(EA), eV:	-8.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[6-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)N3CCC(CC3)C(=O)N4CCCCC4

DOS

IR

Vibrations