Geometry & MOs

Info

ID:	43555
PubChem CID:	10321463
Reduced:	ClFN2O4C23H26 (1)
Stoich.:	ABC2D4E23F26 (1)
Weight, g/mol:	448.076075
ΔH_f, kcal/mol:	-195.34
Dipole, Da:	4.6
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-chlorophenyl)-3-pyrrol-1-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-3H-1,3,4-oxadiazol-2-one

Drug info:

PubChemData

Smile

CC1CC(C(CN1C(=O)COC2=C(C=C(C=C2)Cl)CC(=O)N)C)OC3=CC=C(C=C3)F

DOS

IR

Vibrations