Geometry & MOs

Info

ID:	392824
PubChem CID:	135018088
Reduced:	BrN2O5C33H35 (1)
Stoich.:	AB2C5D33E35 (1)
Weight, g/mol:	432.10511
ΔH_f, kcal/mol:	-153.05
Dipole, Da:	7.45
IP(EA), eV:	-8.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxybutyl]selanyl-1-(4-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)C(=C(N2)C3=CC=CC=C3OC[C@@H](CBr)NC(=O)OCC4=CC=CC=C4)C5CCCCC5

DOS

IR

Vibrations