Geometry & MOs

Info

ID:	240499
PubChem CID:	93581055
Reduced:	FNSO6C26H28 (1)
Stoich.:	ABCD6E26F28 (1)
Weight, g/mol:	373.188923
ΔH_f, kcal/mol:	-220.69
Dipole, Da:	4.23
IP(EA), eV:	-8.73(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2R)-3-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OC[C@H](CN(CC2=CC=C(O2)C3=CC=C(C=C3)F)[C@@H]4CCS(=O)(=O)C4)O

DOS

IR

Vibrations