Geometry & MOs

Info

ID:	176664
PubChem CID:	76080334
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	1114.717473
ΔH_f, kcal/mol:	-121.35
Dipole, Da:	5.23
IP(EA), eV:	-9.34(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[4-carboxy-2-[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoylamino]butanoyl]amino]acetyl]-(2,6-diaminohexanoylamino)amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC(C=O)N(CC1=CC=CS1)C(=O)OC(C)(C)C

DOS

IR

Vibrations