Geometry & MOs

Info

ID:	392009
PubChem CID:	135011911
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	311.136887
ΔH_f, kcal/mol:	-105.91
Dipole, Da:	6.81
IP(EA), eV:	-8.55(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,7aR)-7-acetyloxy-3-tert-butyl-6-methyl-5-oxo-1,3-dihydropyrrolo[1,2-c][1,3]oxazole-7a-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C2=C(C(=C(C(=C12)O)NC)C)OC)C

DOS

IR

Vibrations