Geometry & MOs

Info

ID:	302845
PubChem CID:	124397448
Reduced:	INO5C16H22 (1)
Stoich.:	ABC5D16E22 (1)
Weight, g/mol:	507.31373
ΔH_f, kcal/mol:	-205.9
Dipole, Da:	2.81
IP(EA), eV:	-8.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-3-[[(3S)-3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CC1=CC(=C(C=C1)OC)I)C(=O)OC

DOS

IR

Vibrations