Geometry & MOs

Info

ID:	240530
PubChem CID:	93581324
Reduced:	ClNO4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	407.140259
ΔH_f, kcal/mol:	-142.01
Dipole, Da:	4.61
IP(EA), eV:	-8.87(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R)-3-[[(3R)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@@H](CN(C[C@@H]2CCCO2)CC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations