Geometry & MOs

Info

ID:	234702
PubChem CID:	92303343
Reduced:	SN3O3C16H29 (1)
Stoich.:	AB3C3D16E29 (1)
Weight, g/mol:	297.084852
ΔH_f, kcal/mol:	-173.75
Dipole, Da:	9.36
IP(EA), eV:	-9.13(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R,4S)-3-[bis(carboxymethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]([C@@H](S1)CCCCC(=O)NCCCCCCO)NC(=O)N2

DOS

IR

Vibrations