Geometry & MOs

Info

ID:	240508
PubChem CID:	93581163
Reduced:	NCl2O4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	423.204573
ΔH_f, kcal/mol:	-104.62
Dipole, Da:	5.22
IP(EA), eV:	-9.08(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2R)-3-[(2-ethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)OC[C@H](CN(CC2=C(C=C(C=C2)Cl)Cl)CC3=CC=CO3)O

DOS

IR

Vibrations