Geometry & MOs

Info

ID:	327259
PubChem CID:	126689357
Reduced:	F3O3N4C24H25 (1)
Stoich.:	A3B3C4D24E25 (1)
Weight, g/mol:	499.141321
ΔH_f, kcal/mol:	-225.06
Dipole, Da:	3.12
IP(EA), eV:	-8.96(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[7-[2-[4-[(1R)-1,2-dihydroxyethyl]phenyl]ethynyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

CC1(CCN(C1=O)C)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CCCO

DOS

IR

Vibrations