Geometry & MOs

Info

ID:

234261

PubChem CID:

92298043

Reduced:

SO4N6H26C27 (1)

Stoich.:

AB4C6D26E27 (1)

Weight, g/mol:

536.197217

ΔHf, kcal/mol:

-53.49

Dipole, Da:

5.49

IP(EA), eV:

 -8.93(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(S)-(1-benzyltetrazol-5-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)[C@@H](C2=CC3=C(C=C2)N=CC=C3)N(C4=CC=CC=C4)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations