Geometry & MOs

Info

ID:	64046
PubChem CID:	26759758
Reduced:	ClSN2O6C23H27 (1)
Stoich.:	ABC2D6E23F27 (1)
Weight, g/mol:	477.139213
ΔH_f, kcal/mol:	-192.33
Dipole, Da:	8.87
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3)OC

DOS

IR

Vibrations