Geometry & MOs

Info

ID:	240402
PubChem CID:	93578210
Reduced:	NSO5C23H31 (1)
Stoich.:	ABC5D23E31 (1)
Weight, g/mol:	433.192294
ΔH_f, kcal/mol:	-184.73
Dipole, Da:	7.74
IP(EA), eV:	-8.73(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]-[(4-ethoxyphenyl)methyl]amino]-3-(3-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(C[C@@H](COC2=CC=CC(=C2)C)O)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations