Geometry & MOs

Info

ID:	60815
PubChem CID:	26702432
Reduced:	NF2O5H23C24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	399.111599
ΔH_f, kcal/mol:	-244.22
Dipole, Da:	4.33
IP(EA), eV:	-8.52(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C=CC(=C2)NC(=O)CC3=C(C=C(C=C3)OC)OC)OC(F)F

DOS

IR

Vibrations