Geometry & MOs

Info

ID:	186976
PubChem CID:	77510229
Reduced:	ClO2N8C37H53 (1)
Stoich.:	AB2C8D37E53 (1)
Weight, g/mol:	617.265286
ΔH_f, kcal/mol:	-43.38
Dipole, Da:	13.19
IP(EA), eV:	-8.95(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-trihexoxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)(C)C)C(=O)N2CCC(CC2)NC(CC3=CC=C(C=C3)Cl)C(=O)N4CCC(CC4)(CN5C=NC=N5)C6CCCCC6

DOS

IR

Vibrations