Geometry & MOs

Info

ID:	150292
PubChem CID:	53789980
Reduced:	FON5C23H26 (1)
Stoich.:	ABC5D23E26 (1)
Weight, g/mol:	657.435301
ΔH_f, kcal/mol:	32.84
Dipole, Da:	1.15
IP(EA), eV:	-8.92(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-2,2-dimethyl-4-[[3-[4-(octadec-9-enoylamino)anilino]-3-oxopropyl]amino]-4-oxobutyl] acetate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=CC(=NO3)N=C(N)N4CCN(CC4)C

DOS

IR

Vibrations