Geometry & MOs

Info

ID:	35301
PubChem CID:	7979654
Reduced:	FNSO5H18C20 (1)
Stoich.:	ABCD5E18F20 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-194.89
Dipole, Da:	3.49
IP(EA), eV:	-9.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1C2=C(C(=CC(=C2)F)COC(=O)CN3CSCC3=O)O[C@@H](O1)C4=CC=CC=C4

DOS

IR

Vibrations