Geometry & MOs

Info

ID:	124771
PubChem CID:	50895513
Reduced:	ClNSO4C12H16 (1)
Stoich.:	ABCD4E12F16 (1)
Weight, g/mol:	323.01497
ΔH_f, kcal/mol:	-172.24
Dipole, Da:	7.89
IP(EA), eV:	-9.68(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-N-ethylsulfonyl-2-methylanilino)propanoyl chloride

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(C1=C(C(=CC=C1)Cl)C)C(C)C(=O)O

DOS

IR

Vibrations