Geometry & MOs

Info

ID:	199449
PubChem CID:	79247076
Reduced:	NSO3C16H27 (1)
Stoich.:	ABC3D16E27 (1)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	-152.82
Dipole, Da:	2.94
IP(EA), eV:	-9.57(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-7-[(1-hydroxy-3-methylbutan-2-yl)amino]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N[C@H](CO)C(C)C

DOS

IR

Vibrations