Geometry & MOs

Info

ID:	327281
PubChem CID:	126689397
Reduced:	SN3O6C23H25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	444.146741
ΔH_f, kcal/mol:	-79.7
Dipole, Da:	3.39
IP(EA), eV:	-9.41(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(C[C@@H]1C#CC#CC2=CC3=C(C=C2)C(=O)N(C=N3)CCC(C)(C(=O)NO)S(=O)(=O)C)CO

DOS

IR

Vibrations