Geometry & MOs

Info

ID:	327283
PubChem CID:	126689400
Reduced:	SN4O7C22H26 (1)
Stoich.:	AB4C7D22E26 (1)
Weight, g/mol:	444.146741
ΔH_f, kcal/mol:	-149.8
Dipole, Da:	3.96
IP(EA), eV:	-9.43(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-(5-amino-5-methylhexa-1,3-diynyl)-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C#CC#CC1=CC2=C(C=C1)C(=O)N(C=N2)CCC(C)(C(=O)NO)S(=O)(=O)C)N.C(=O)O

DOS

IR

Vibrations