Geometry & MOs

Info

ID:	447527
PubChem CID:	135283603
Reduced:	FO2N5C20H24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	412.196234
ΔH_f, kcal/mol:	-61.85
Dipole, Da:	3.59
IP(EA), eV:	-9.56(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyclohexanecarbonylamino)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=NN=C(C=C1)C2=C(C(=CC(=C2)C(=O)NC3CNC3)F)C

DOS

IR

Vibrations