Geometry & MOs

Info

ID:	327292
PubChem CID:	126689423
Reduced:	FSN3O6C21H22 (1)
Stoich.:	ABC3D6E21F22 (1)
Weight, g/mol:	538.188606
ΔH_f, kcal/mol:	-202.67
Dipole, Da:	3.49
IP(EA), eV:	-9.12(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[7-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-oxoquinazolin-3-yl]butanamide

Drug info:

PubChemData

Smile

C[C@@](CCN1C=NC2=C(C1=O)C=CC(=C2)C3=C(C(=CC=C3)OC)F)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations