Geometry & MOs

Info

ID:	440881
PubChem CID:	135232002
Reduced:	SN2O5C29H54 (1)
Stoich.:	AB2C5D29E54 (1)
Weight, g/mol:	413.332751
ΔH_f, kcal/mol:	-295.21
Dipole, Da:	4.11
IP(EA), eV:	-8.74(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCC/C(=C/CSCC(C(=O)OC)NC(=O)N(C)CC(=O)OC)/C

DOS

IR

Vibrations