Geometry & MOs

Info

ID:	327300
PubChem CID:	126689448
Reduced:	SN4O6C25H30 (1)
Stoich.:	AB4C6D25E30 (1)
Weight, g/mol:	509.162057
ΔH_f, kcal/mol:	-165.1
Dipole, Da:	3.06
IP(EA), eV:	-8.87(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-4-[7-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]ethynyl]-4-oxoquinazolin-3-yl]-2-methyl-2-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

C[C@@](CCN1C=NC2=C(C1=O)C=CC(=C2)C3=CC=C(C=C3)CN4CCOCC4)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations