Geometry & MOs

Info

ID:	43515
PubChem CID:	10321410
Reduced:	N2O2Cl3H17C22 (1)
Stoich.:	A2B2C3D17E22 (1)
Weight, g/mol:	447.046075
ΔH_f, kcal/mol:	5.43
Dipole, Da:	6.71
IP(EA), eV:	-8.91(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N=C(C)N(C2=CC=C(C=C2)C)C3=C(C(=O)C(=C(C3=O)Cl)Cl)Cl

DOS

IR

Vibrations