Geometry & MOs

Info

ID:	240435
PubChem CID:	93579098
Reduced:	N2S2O5C25H34 (1)
Stoich.:	A2B2C5D25E34 (1)
Weight, g/mol:	365.199094
ΔH_f, kcal/mol:	-210.41
Dipole, Da:	7.25
IP(EA), eV:	-8.45(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N[C@@H]3CCS(=O)(=O)C3)NC[C@H](COC4=CC=CC(=C4C)C)O

DOS

IR

Vibrations