Geometry & MOs

Info

ID:	240515
PubChem CID:	93581249
Reduced:	NSO6C24H31 (1)
Stoich.:	ABC6D24E31 (1)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	-218.05
Dipole, Da:	1.88
IP(EA), eV:	-8.87(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-3-[benzyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(C[C@H](COC2=CC=CC=C2C(=O)C)O)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations