Geometry & MOs

Info

ID:	36950
PubChem CID:	8015258
Reduced:	BrNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	397.0161
ΔH_f, kcal/mol:	-153.08
Dipole, Da:	1.97
IP(EA), eV:	-9.74(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(2R)-2-(5-bromofuran-2-carbonyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations