Geometry & MOs

Info

ID:	440135
PubChem CID:	135230035
Reduced:	SF2N2O4H16C19 (1)
Stoich.:	AB2C2D4E16F19 (1)
Weight, g/mol:	595.398522
ΔH_f, kcal/mol:	-197.6
Dipole, Da:	7.98
IP(EA), eV:	-9.02(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[1-(2,2,4,4,5,5-hexamethylhexyl)cyclopentanecarbonyl]amino]-4-[4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCSC3=CC(=C(C(=C3)F)OCC(=O)N)F

DOS

IR

Vibrations