Geometry & MOs

Info

ID:	219100
PubChem CID:	85090523
Reduced:	Cl2N2O3C31H36 (1)
Stoich.:	A2B2C3D31E36 (1)
Weight, g/mol:	555.242809
ΔH_f, kcal/mol:	-121.01
Dipole, Da:	7.16
IP(EA), eV:	-8.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3,4-triacetyloxy-4-[4,5-bis(butylcarbamoyl)-1,3-oxazol-2-yl]butyl] acetate

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC(=O)N2)CCC4=C3C=CC(=C4)OC(=O)C=CC5=CC=CC=C5N(CCCl)CCCl

DOS

IR

Vibrations