Geometry & MOs

Info

ID:	327294
PubChem CID:	126689433
Reduced:	BrFO2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	447.110021
ΔH_f, kcal/mol:	-66.65
Dipole, Da:	2.0
IP(EA), eV:	-9.93(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[7-[(5R)-5,6-dihydroxyhexa-1,3-diynyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

CC(=O)OCC1(CC1C#CBr)F

DOS

IR

Vibrations