Geometry & MOs

Info

ID:	327273
PubChem CID:	126689383
Reduced:	ClFSN5O6C25H29 (1)
Stoich.:	ABCD5E6F25G29 (1)
Weight, g/mol:	558.214821
ΔH_f, kcal/mol:	-205.3
Dipole, Da:	8.24
IP(EA), eV:	-9.49(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCN1C=NC2=C(C1=O)C=C(C(=C2)C#CC#CC3CCC(C3)NC(=O)CN)F)(C(=O)NO)S(=O)(=O)C.Cl

DOS

IR

Vibrations