Geometry & MOs

Info

ID:	134988
PubChem CID:	51794089
Reduced:	ClSN2O4C24H31 (1)
Stoich.:	ABC2D4E24F31 (1)
Weight, g/mol:	428.18667
ΔH_f, kcal/mol:	-158.58
Dipole, Da:	9.25
IP(EA), eV:	-9.49(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(tert-butylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(3-chlorophenyl)-3-methylbut-2-enamide

Drug info:

PubChemData

Smile

CCCCC[C@@H](C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)N(C2=CC=CC=C2Cl)C(=O)CC

DOS

IR

Vibrations