Geometry & MOs

Info

ID:	240473
PubChem CID:	93580505
Reduced:	NSO5C23H29 (1)
Stoich.:	ABC5D23E29 (1)
Weight, g/mol:	383.153286
ΔH_f, kcal/mol:	-171.41
Dipole, Da:	7.04
IP(EA), eV:	-9.12(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-hydroxypropoxy]benzaldehyde

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(C[C@H](COC2=CC=C(C=C2)C=O)O)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations