Geometry & MOs

Info

ID:	135083
PubChem CID:	51811128
Reduced:	Cl2N2O5C23H28 (1)
Stoich.:	A2B2C5D23E28 (1)
Weight, g/mol:	490.283158
ΔH_f, kcal/mol:	-227.33
Dipole, Da:	6.22
IP(EA), eV:	-9.41(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-(2-methoxynaphthalen-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCN([C@H](C1=C(C=C(C=C1O)O)O)C(=O)NC(C)(C)C)C(=O)CC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations