Geometry & MOs

Info

ID:	313101
PubChem CID:	126611974
Reduced:	ClNO2C19H28 (1)
Stoich.:	ABC2D19E28 (1)
Weight, g/mol:	546.184036
ΔH_f, kcal/mol:	-117.51
Dipole, Da:	3.64
IP(EA), eV:	-9.5(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[4-(4,4-difluorocycloheptanecarbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-3,4-dimethylthiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

CCC(C)[C@H](CC(=C)C1=CC(=CC=C1)Cl)NC(=O)OC(C)(C)C

DOS

IR

Vibrations