Geometry & MOs

Info

ID:	447356
PubChem CID:	135282225
Reduced:	ClON4C17H23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	483.158132
ΔH_f, kcal/mol:	-1.73
Dipole, Da:	4.76
IP(EA), eV:	-9.11(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-5-[5-(5,7-difluoroquinolin-4-yl)-3-(trifluoromethyl)pyridin-2-yl]oxy-2,4-dimethylpentan-2-yl] carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations