Geometry & MOs

Info

ID:	245265
PubChem CID:	99443232
Reduced:	FSN2O3C18H27 (1)
Stoich.:	ABC2D3E18F27 (1)
Weight, g/mol:	399.111599
ΔH_f, kcal/mol:	-184.95
Dipole, Da:	2.56
IP(EA), eV:	-9.64(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-propan-2-ylphenyl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C(C)C)F

DOS

IR

Vibrations