Geometry & MOs

Info

ID:	180081
PubChem CID:	76573850
Reduced:	BN2O6C26H41 (1)
Stoich.:	AB2C6D26E41 (1)
Weight, g/mol:	446.166471
ΔH_f, kcal/mol:	-365.69
Dipole, Da:	11.52
IP(EA), eV:	-8.85(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C(CC(C)C)NC(=O)C(CO)NC(=O)C2CCC3=C(C2)C=C(C=C3)OC

DOS

IR

Vibrations