Geometry & MOs

Info

ID:	217845
PubChem CID:	85088483
Reduced:	NSO3H23C24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	405.230394
ΔH_f, kcal/mol:	-15.83
Dipole, Da:	4.17
IP(EA), eV:	-9.23(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] 2-phenylbutanoate

Drug info:

PubChemData

Smile

CC=C=C1C2N(C1=O)C(C(S2)(C)C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations