Geometry & MOs

Info

ID:	149914
PubChem CID:	53789596
Reduced:	N5O9C34H63 (1)
Stoich.:	A5B9C34D63 (1)
Weight, g/mol:	844.824762
ΔH_f, kcal/mol:	-522.46
Dipole, Da:	12.81
IP(EA), eV:	-9.92(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dihexacosyl but-2-enedioate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@H]([C@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)CC(C)C)O

DOS

IR

Vibrations