Geometry & MOs

Info

ID:	431781
PubChem CID:	135171887
Reduced:	NOC10H16 (2)
Stoich.:	ABC10D16 (2)
Weight, g/mol:	618.248761
ΔH_f, kcal/mol:	-102.51
Dipole, Da:	3.52
IP(EA), eV:	-8.28(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[(2R)-4-methoxy-4-oxobutan-2-yl]-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]anilino]cyclohexyl] benzoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(\C)/C1=CC(=C(C=C1)N(CC(C)C)CC(C)C)N

DOS

IR

Vibrations