Geometry & MOs

Info

ID:	82435
PubChem CID:	49856027
Reduced:	PN5O10C45H50 (1)
Stoich.:	AB5C10D45E50 (1)
Weight, g/mol:	765.692746
ΔH_f, kcal/mol:	-397.44
Dipole, Da:	4.17
IP(EA), eV:	-9.1(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-(113C)nonanoyloxy-3-octadecanoyloxypropyl) octadecanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=C(C=C3)OP(=O)(O)O)C(=O)O)NC(=O)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations