Geometry & MOs

Info

ID:	229567
PubChem CID:	87568047
Reduced:	BrPF2O3C8H8 (1)
Stoich.:	ABC2D3E8F8 (1)
Weight, g/mol:	424.163436
ΔH_f, kcal/mol:	-264.81
Dipole, Da:	2.8
IP(EA), eV:	-9.46(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-4-[4-(morpholin-4-ylmethyl)phenyl]-2H-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Br)OP(=O)(C(F)F)O

DOS

IR

Vibrations