Geometry & MOs

Info

ID:	240507
PubChem CID:	93581159
Reduced:	ClNO4C23H24 (1)
Stoich.:	ABC4D23E24 (1)
Weight, g/mol:	447.100414
ΔH_f, kcal/mol:	-97.06
Dipole, Da:	2.19
IP(EA), eV:	-9.08(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2S)-3-[(2,4-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations