Geometry & MOs

Info

ID:	141721
PubChem CID:	52921679
Reduced:	P2N3O16C17H27 (1)
Stoich.:	A2B3C16D17E27 (1)
Weight, g/mol:	368.365431
ΔH_f, kcal/mol:	-845.05
Dipole, Da:	4.8
IP(EA), eV:	-10.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-2,4-dimethyldocosanoic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@H]([C@H]([C@@H](C(O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)O

DOS

IR

Vibrations