Geometry & MOs

Info

ID:	214974
PubChem CID:	85083942
Reduced:	O5N9C33H55 (1)
Stoich.:	A5B9C33D55 (1)
Weight, g/mol:	657.246961
ΔH_f, kcal/mol:	-252.5
Dipole, Da:	4.9
IP(EA), eV:	-9.45(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 12-[3-[(2-chlorophenoxy)-[2-(4-nitrophenyl)ethoxy]phosphoryl]oxy-2-methoxypropoxy]dodecanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1CCCCC1)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C)N

DOS

IR

Vibrations