Geometry & MOs

Info

ID:	240385
PubChem CID:	93578079
Reduced:	NSO4C25H29 (1)
Stoich.:	ABC4D25E29 (1)
Weight, g/mol:	393.160994
ΔH_f, kcal/mol:	-117.83
Dipole, Da:	5.45
IP(EA), eV:	-8.73(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-[(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=CC3=CC=CC=C32)[C@@H]4CCS(=O)(=O)C4)O

DOS

IR

Vibrations