Geometry & MOs

Info

ID:	59030
PubChem CID:	24770391
Reduced:	N2O7C16H18 (1)
Stoich.:	A2B7C16D18 (1)
Weight, g/mol:	245.95277
ΔH_f, kcal/mol:	-259.41
Dipole, Da:	2.52
IP(EA), eV:	-9.22(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S,6aR)-4-[(E)-2-bromoethenyl]-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC(=O)CC(=O)O

DOS

IR

Vibrations