Geometry & MOs

Info

ID:	37715
PubChem CID:	8023504
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	411.082367
ΔH_f, kcal/mol:	-48.27
Dipole, Da:	7.32
IP(EA), eV:	-9.33(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@@H](C)C2=CC=C(C=C2)N3C=CN=C3

DOS

IR

Vibrations