Geometry & MOs

Info

ID:	9628
PubChem CID:	91754
Reduced:	ClOSN2C19H25 (1)
Stoich.:	ABCD2E19F25 (1)
Weight, g/mol:	364.137612
ΔH_f, kcal/mol:	-24.25
Dipole, Da:	4.2
IP(EA), eV:	-9.02(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

DOS

IR

Vibrations