Geometry & MOs

Info

ID:	143621
PubChem CID:	53236223
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	314.028062
ΔH_f, kcal/mol:	-100.15
Dipole, Da:	2.64
IP(EA), eV:	-8.32(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzothiophen-2-yl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

COCC(=O)NC1=CC=C(C=C1)OCCCN2C[C@@H]3[C@H]2CCC3

DOS

IR

Vibrations