Geometry & MOs

Info

ID:	240513
PubChem CID:	93581224
Reduced:	NSO6C23H29 (1)
Stoich.:	ABC6D23E29 (1)
Weight, g/mol:	451.122022
ΔH_f, kcal/mol:	-205.6
Dipole, Da:	8.03
IP(EA), eV:	-8.76(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@@H](CN(CC2=CC=C(C=C2)OC)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations