Geometry & MOs

Info

ID:	447321
PubChem CID:	135282016
Reduced:	ClN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	487.184954
ΔH_f, kcal/mol:	-110.99
Dipole, Da:	6.09
IP(EA), eV:	-8.99(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,5S)-5-[2-chloro-4-[2-(trifluoromethyl)pyrimidin-4-yl]phenoxy]-2,4,6,6-tetramethylheptan-2-yl] carbamate

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)C2=CC(=C(C=C2)OC[C@@H](C)CC(C)(C)NC(=O)O)Cl

DOS

IR

Vibrations