Geometry & MOs

Info

ID:	327286
PubChem CID:	126689404
Reduced:	OC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	475.121335
ΔH_f, kcal/mol:	-191.54
Dipole, Da:	1.95
IP(EA), eV:	-9.97(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[6-fluoro-7-[4-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

CC(=O)OC[C@]1(C[C@@H]1[C@@H]2COC(O2)(C)C)C

DOS

IR

Vibrations