Geometry & MOs

Info

ID:	307102
PubChem CID:	125267586
Reduced:	O2N4S4C17H18 (1)
Stoich.:	A2B4C4D17E18 (1)
Weight, g/mol:	386.141262
ΔH_f, kcal/mol:	35.55
Dipole, Da:	2.41
IP(EA), eV:	-9.07(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@@H]1N=NC(=NC(=O)CCN2C(=O)/C(=C\C3=CC=CS3)/SC2=S)S1

DOS

IR

Vibrations