Geometry & MOs

Info

ID:	371475
PubChem CID:	127346542
Reduced:	N2O5C20H28 (1)
Stoich.:	A2B5C20D28 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-198.27
Dipole, Da:	2.32
IP(EA), eV:	-8.72(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]sulfanylmethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)NC(=O)CC3CCOC3)OC

DOS

IR

Vibrations