Geometry & MOs

Info

ID:	323120
PubChem CID:	126672697
Reduced:	NO6C39H67 (1)
Stoich.:	AB6C39D67 (1)
Weight, g/mol:	172.05964
ΔH_f, kcal/mol:	-373.21
Dipole, Da:	6.37
IP(EA), eV:	-9.12(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(5-oxotetrazolidin-1-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](CCCC(C)C)[C@H]1CC[C@H]2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCCCCCO[C@H]5CC([C@H](O5)CO)O)C)C

DOS

IR

Vibrations