Geometry & MOs

Info

ID:	240389
PubChem CID:	93578143
Reduced:	NO4C21H29 (1)
Stoich.:	AB4C21D29 (1)
Weight, g/mol:	523.098699
ΔH_f, kcal/mol:	-138.82
Dipole, Da:	2.21
IP(EA), eV:	-8.54(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-3-(4-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC[C@H](CN(C[C@@H]2CCCO2)CC3=CC=C(O3)C)O

DOS

IR

Vibrations