Geometry & MOs

Info

ID:	307103
PubChem CID:	125267587
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	386.141262
ΔH_f, kcal/mol:	-108.51
Dipole, Da:	2.55
IP(EA), eV:	-8.05(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2S)-2,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1NC(=C(S1)C(=O)N2CCC(CC2)N3C(=O)C4=CC=CC=C4NC3=O)C

DOS

IR

Vibrations