Geometry & MOs

Info

ID:	319783
PubChem CID:	126657288
Reduced:	O3C17H30 (1)
Stoich.:	A3B17C30 (1)
Weight, g/mol:	559.213694
ΔH_f, kcal/mol:	-172.07
Dipole, Da:	5.38
IP(EA), eV:	-9.55(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-4-[4-(5-chloro-2-fluorophenyl)phenyl]-1-(2,2-dimethyl-4,6-dioxo-5-prop-2-enyl-1,3-dioxan-5-yl)butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCC(CCCCC)CC1=C(OC(=O)O1)C

DOS

IR

Vibrations