Geometry & MOs

Info

ID:	180030
PubChem CID:	76569018
Reduced:	N2O2F6H20C25 (1)
Stoich.:	A2B2C6D20E25 (1)
Weight, g/mol:	482.185098
ΔH_f, kcal/mol:	-274.77
Dipole, Da:	3.2
IP(EA), eV:	-8.69(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]thiophen-2-yl]methylamino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(CCC2=C(C=C(C(=C2F)F)C(F)(F)F)F)C(=O)C(=NO)C3=CC=CC=C3)C

DOS

IR

Vibrations