Geometry & MOs

Info

ID:	124607
PubChem CID:	50889391
Reduced:	ClSN2O5C18H19 (1)
Stoich.:	ABC2D5E18F19 (1)
Weight, g/mol:	408.091056
ΔH_f, kcal/mol:	-170.87
Dipole, Da:	11.23
IP(EA), eV:	-8.88(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(4-acetamidophenyl)sulfonyl-2,4-dimethylanilino)propanoyl chloride

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CC(=O)Cl)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations