Geometry & MOs

Info

ID:	16180
PubChem CID:	460986
Reduced:	N2O4F5H19C22 (1)
Stoich.:	A2B4C5D19E22 (1)
Weight, g/mol:	470.126498
ΔH_f, kcal/mol:	-334.19
Dipole, Da:	10.05
IP(EA), eV:	-9.46(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-4-cyano-3-hydroxy-1-(4-hydroxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)but-3-en-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)O)C(=C(C#N)C2=C(C(=C(C(=C2F)F)F)F)F)O

DOS

IR

Vibrations