Geometry & MOs

Info

ID:	143614
PubChem CID:	53235290
Reduced:	SO2N5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	698.175751
ΔH_f, kcal/mol:	15.69
Dipole, Da:	4.06
IP(EA), eV:	-9.03(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NC=NN1C2=NC3=C(S2)CCOC4=C3C=C(C=C4)C(=O)N

DOS

IR

Vibrations