Geometry & MOs

Info

ID:	240516
PubChem CID:	93581255
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	495.07151
ΔH_f, kcal/mol:	-89.89
Dipole, Da:	4.26
IP(EA), eV:	-9.25(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-3-[(3-bromophenyl)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=CC=C2)CC3=CC=CO3)O

DOS

IR

Vibrations