Geometry & MOs

Info

ID:	447387
PubChem CID:	135282527
Reduced:	O2F3N3C19H24 (1)
Stoich.:	A2B3C3D19E24 (1)
Weight, g/mol:	422.156575
ΔH_f, kcal/mol:	-209.33
Dipole, Da:	4.62
IP(EA), eV:	-9.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-5-[2-cyano-4-[2-(trifluoromethyl)pyrimidin-4-yl]phenoxy]-2,4-dimethylpentan-2-yl] carbamate

Drug info:

PubChemData

Smile

CC(C)C[C@@](C)(COC1=C(C=C(C=C1)C2=CC(=NC=N2)OC)C(F)(F)F)N

DOS

IR

Vibrations