Geometry & MOs

Info

ID:	240512
PubChem CID:	93581182
Reduced:	FNO4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	447.171559
ΔH_f, kcal/mol:	-176.59
Dipole, Da:	2.45
IP(EA), eV:	-9.0(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R)-3-[[(3R)-1,1-dioxothiolan-3-yl]-[(4-methoxyphenyl)methyl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations