Geometry & MOs

Info

ID:	234171
PubChem CID:	92297860
Reduced:	ClSO3N6C29H33 (1)
Stoich.:	ABC3D6E29F33 (1)
Weight, g/mol:	544.218266
ΔH_f, kcal/mol:	-71.46
Dipole, Da:	5.72
IP(EA), eV:	-8.83(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(S)-(1-cyclopentyltetrazol-5-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=NSC(=C2N)C(=O)N(C3=CC=C(C=C3)Cl)[C@H](C4=CC=NC=C4)C(=O)NC5CCCC5

DOS

IR

Vibrations