Geometry & MOs

Info

ID:	173080
PubChem CID:	75593648
Reduced:	SO2N5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	369.114713
ΔH_f, kcal/mol:	-10.98
Dipole, Da:	9.04
IP(EA), eV:	-8.92(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1CC(NN1)C(=O)NC2=CC=CC(=C2C)C(=O)NC3=NC=CS3

DOS

IR

Vibrations