Geometry & MOs

Info

ID:	438273
PubChem CID:	135228003
Reduced:	SN2O7C28H50 (1)
Stoich.:	AB2C7D28E50 (1)
Weight, g/mol:	558.333873
ΔH_f, kcal/mol:	-381.04
Dipole, Da:	7.33
IP(EA), eV:	-8.99(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(carboxymethyl)carbamoylamino]-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)N(CC(=O)O)CC(=O)O)/C

DOS

IR

Vibrations