Geometry & MOs

Info

ID:	63630
PubChem CID:	26758815
Reduced:	BrFNO5H17C19 (1)
Stoich.:	ABCD5E17F19 (1)
Weight, g/mol:	389.103
ΔH_f, kcal/mol:	-190.81
Dipole, Da:	5.58
IP(EA), eV:	-9.06(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations