Geometry & MOs

Info

ID:	444217
PubChem CID:	135261744
Reduced:	NO3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	837.18318
ΔH_f, kcal/mol:	-113.83
Dipole, Da:	4.23
IP(EA), eV:	-10.53(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[8-[2-[4-[2-[4-[[2-(4-bromophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenoxy]ethyl]piperazin-1-yl]ethoxy]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C(=O)O)CCCCO

DOS

IR

Vibrations