Geometry & MOs

Info

ID:	240495
PubChem CID:	93581025
Reduced:	NCl2O4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	469.210052
ΔH_f, kcal/mol:	-107.13
Dipole, Da:	2.61
IP(EA), eV:	-9.33(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2S)-3-[furan-2-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations