Geometry & MOs

Info

ID:	440826
PubChem CID:	135231705
Reduced:	OSN3C22H23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	466.250144
ΔH_f, kcal/mol:	56.56
Dipole, Da:	0.53
IP(EA), eV:	-8.36(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[(1R)-1-carboxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylethyl]carbamoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC#CC1=CC2=C(C=C1)SC(=C2C)/C=C\C(=C)[C@@]3(CC(=O)N(C(=N3)N)C)C

DOS

IR

Vibrations