Geometry & MOs

Info

ID:	327049
PubChem CID:	126688920
Reduced:	N5O5C26H33 (1)
Stoich.:	A5B5C26D33 (1)
Weight, g/mol:	420.126776
ΔH_f, kcal/mol:	-195.88
Dipole, Da:	9.68
IP(EA), eV:	-8.61(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]propanoic acid

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)NC(=O)CCC(=O)O)NC2=O)C

DOS

IR

Vibrations