Geometry & MOs

Info

ID:	440834
PubChem CID:	135231744
Reduced:	SO2N6C24H38 (1)
Stoich.:	AB2C6D24E38 (1)
Weight, g/mol:	556.390994
ΔH_f, kcal/mol:	25.36
Dipole, Da:	9.03
IP(EA), eV:	-8.64(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-acetamido-4-hydroxy-3-methylbutanoyl)amino]-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)NCCCNCCCCN2C=C(N=C2)CCNSC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations