Geometry & MOs

Info

ID:	240386
PubChem CID:	93578081
Reduced:	NSO5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-178.68
Dipole, Da:	5.07
IP(EA), eV:	-8.71(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC[C@H](CN(CC2=CC=C(O2)C)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations