Geometry & MOs

Info

ID:	221771
PubChem CID:	85286127
Reduced:	N3O8C33H53 (1)
Stoich.:	A3B8C33D53 (1)
Weight, g/mol:	619.329774
ΔH_f, kcal/mol:	-355.51
Dipole, Da:	4.89
IP(EA), eV:	-8.53(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 5-O-[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(benzhydrylideneamino)-3-(furan-2-yl)pentanedioate

Drug info:

PubChemData

Smile

CC(=O)OC1C(C2C(CCC3C2(C4(C1(OC(CC4=O)(C)C=C)C)OC(O3)N(C)C)C)(C)C)OC(=O)NCCN5CCCCC5

DOS

IR

Vibrations