Geometry & MOs

Info

ID:	240514
PubChem CID:	93581228
Reduced:	ClNSO5C22H26 (1)
Stoich.:	ABCD5E22F26 (1)
Weight, g/mol:	461.187209
ΔH_f, kcal/mol:	-173.85
Dipole, Da:	8.96
IP(EA), eV:	-9.12(-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-ethoxyphenyl)methyl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@@H](CN(CC2=CC=CC=C2Cl)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations