Geometry & MOs

Info

ID:	134888
PubChem CID:	51775532
Reduced:	N2F3O4C25H31 (1)
Stoich.:	A2B3C4D25E31 (1)
Weight, g/mol:	480.223592
ΔH_f, kcal/mol:	-327.38
Dipole, Da:	2.57
IP(EA), eV:	-9.06(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxy-N-methyl-N-[(1S)-2-oxo-1-[4-(trifluoromethyl)phenyl]-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@@H](C1=CC=C(C=C1)C(F)(F)F)N(C)C(=O)C2=C(C(=CC=C2)O)O

DOS

IR

Vibrations