Geometry & MOs

Info

ID:	57592
PubChem CID:	22425646
Reduced:	S2N3O4C20H23 (1)
Stoich.:	A2B3C4D20E23 (1)
Weight, g/mol:	451.123563
ΔH_f, kcal/mol:	-105.17
Dipole, Da:	7.87
IP(EA), eV:	-9.4(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)S(=O)(=O)C3CCCCC3

DOS

IR

Vibrations