Geometry & MOs

Info

ID:	214992
PubChem CID:	85083967
Reduced:	N2O2C12H17 (3)
Stoich.:	A2B2C12D17 (3)
Weight, g/mol:	662.475769
ΔH_f, kcal/mol:	-263.14
Dipole, Da:	7.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.915339
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[5-[1-acetyloxy-11-(2-methyl-5-oxo-2H-furan-4-yl)undecyl]oxolan-2-yl]oxolan-2-yl]undecyl acetate

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC=C(C=C1)N)C(=O)NC(C2CCCCC2)C(=O)NC(CC3=C[N+](=CC=C3)C)C(=O)NCC4CCC(CC4)C(=O)O

DOS

IR

Vibrations