Geometry & MOs

Info

ID:	234244
PubChem CID:	92297999
Reduced:	OSCl3N5H22C24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	549.248838
ΔH_f, kcal/mol:	62.09
Dipole, Da:	5.29
IP(EA), eV:	-8.88(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(S)-[benzyl(pyridin-3-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)N[C@H](C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

DOS

IR

Vibrations