Geometry & MOs

Info

ID:	315381
PubChem CID:	126625779
Reduced:	OF3N5C21H22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	388.199822
ΔH_f, kcal/mol:	-87.75
Dipole, Da:	3.61
IP(EA), eV:	-8.89(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,7aR)-3-tert-butyl-7-hydroxy-7a-methyl-5-oxo-N-(4-propoxyphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]oxazole-6-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)N/C(=N\C2CC(NN2)C3=CC=C(C=C3)F)/NC(=O)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations