Geometry & MOs

Info

ID:	327946
PubChem CID:	126691471
Reduced:	ClS2N4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	374.15165
ΔH_f, kcal/mol:	100.36
Dipole, Da:	5.5
IP(EA), eV:	-8.5(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-3-(3,3-difluorocyclobutyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-5,5,5-trifluoropentanoic acid

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=C(C(=C3N2CCC3C4=NC(=CS4)Cl)N(C)C)C=C

DOS

IR

Vibrations