Geometry & MOs

Info

ID:	440867
PubChem CID:	135231919
Reduced:	SN2O5C29H52 (1)
Stoich.:	AB2C5D29E52 (1)
Weight, g/mol:	496.369865
ΔH_f, kcal/mol:	-303.47
Dipole, Da:	6.11
IP(EA), eV:	-9.39(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyrrolidine-1-carbonylamino)-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCC/C(=C/CSC[C@@H](C(=O)O)NC(=O)N1CCC[C@H]1C(=O)O)/C

DOS

IR

Vibrations