Geometry & MOs

Info

ID:	122900
PubChem CID:	50826033
Reduced:	ClSO2N5C23H28 (1)
Stoich.:	ABC2D5E23F28 (1)
Weight, g/mol:	487.180874
ΔH_f, kcal/mol:	-40.8
Dipole, Da:	12.4
IP(EA), eV:	-8.38(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(C=C2)N3CCC(CC3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations