Geometry & MOs

Info

ID:	156403
PubChem CID:	56370478
Reduced:	N3O3C22H39 (1)
Stoich.:	A3B3C22D39 (1)
Weight, g/mol:	492.255898
ΔH_f, kcal/mol:	-193.92
Dipole, Da:	2.76
IP(EA), eV:	-8.81(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-oxo-6-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2CCN(C2)C3CCCCCC3

DOS

IR

Vibrations