Geometry & MOs

Info

ID:

440829

PubChem CID:

135231726

Reduced:

SN2O5C30H54 (1)

Stoich.:

AB2C5D30E54 (1)

Weight, g/mol:

632.321926

ΔHf, kcal/mol:

-307.41

Dipole, Da:

3.9

IP(EA), eV:

 -9.38(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(1R)-1-carboxy-2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylethyl]carbamoylamino]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCC/C(=C/CSCC(C(=O)O)NC(=O)N1CCCCC1C(=O)O)/C

DOS

IR

Vibrations