Geometry & MOs

Info

ID:	149369
PubChem CID:	53789041
Reduced:	N2Cl3O4H11C12 (1)
Stoich.:	A2B3C4D11E12 (1)
Weight, g/mol:	406.192629
ΔH_f, kcal/mol:	-133.06
Dipole, Da:	2.08
IP(EA), eV:	-10.29(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-amino-2-hydroxy-4-phenylbutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(CO)N=CC(C(=O)C1=CN=C(C(=C1Cl)Cl)Cl)C(=O)O

DOS

IR

Vibrations