Geometry & MOs

Info

ID:	214568
PubChem CID:	85083207
Reduced:	N2O4C35H38 (1)
Stoich.:	A2B4C35D38 (1)
Weight, g/mol:	550.250144
ΔH_f, kcal/mol:	-97.13
Dipole, Da:	2.8
IP(EA), eV:	-8.53(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[5-hydroxy-2-methylsulfanyl-4-phenylmethoxy-6-[(4-phenylphenyl)methoxymethyl]oxan-3-yl]butanamide

Drug info:

PubChemData

Smile

CCC1(CC(=C2C3(C1N(CC3)CC4=CC=CC=C4)C5=CC=CC=C5N2)C(=O)OC)CCCOC(=O)C6=CC=CC=C6

DOS

IR

Vibrations