Geometry & MOs

Info

ID:	134743
PubChem CID:	51749134
Reduced:	N2F3O3C25H29 (1)
Stoich.:	A2B3C3D25E29 (1)
Weight, g/mol:	336.204907
ΔH_f, kcal/mol:	-259.8
Dipole, Da:	6.66
IP(EA), eV:	-9.44(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-N-tert-butyl-2-[furan-2-ylmethyl-(2-hydroxyacetyl)amino]hept-3-enamide

Drug info:

PubChemData

Smile

CC(=CC(=O)N(CC1=CC=CO1)[C@@H](C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3CCCCC3)C

DOS

IR

Vibrations