Geometry & MOs

Info

ID:	180159
PubChem CID:	76586278
Reduced:	O9N12C76H156 (1)
Stoich.:	A9B12C76D156 (1)
Weight, g/mol:	537.439324
ΔH_f, kcal/mol:	-579.21
Dipole, Da:	6.99
IP(EA), eV:	-8.4(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-butanoyloxyethyl(octadec-9-enoyl)amino]ethyl 4-methylpentanoate

Drug info:

Smile

CCCCCCCCC=CCCCCCCCC(=O)N(CCOC(=O)CCC(C)(C)C)CCOC(=O)CCNCCN(CCNC(C)(C)C)CCN(CCNC(C)(C)C)CCN(CCNC(C)(C)C)CCN(CCN)CCN(CCNCCC(=O)OCCOCCOC)C(C)(C)C

DOS

IR

Vibrations