Geometry & MOs

Info

ID:	240501
PubChem CID:	93581060
Reduced:	NSO4C22H29 (1)
Stoich.:	ABC4D22E29 (1)
Weight, g/mol:	413.220223
ΔH_f, kcal/mol:	-133.81
Dipole, Da:	6.91
IP(EA), eV:	-8.83(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C[C@@H]2CCCO2)C[C@@H](COC3=CC=C(C=C3)C(=O)C)O

DOS

IR

Vibrations