Geometry & MOs

Info

ID:	60623
PubChem CID:	26697297
Reduced:	SN2O4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	390.116877
ΔH_f, kcal/mol:	-90.84
Dipole, Da:	6.75
IP(EA), eV:	-8.85(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2R)-1-(4-ethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations