Geometry & MOs

Info

ID:	230409
PubChem CID:	87570813
Reduced:	SCl2O2N5C25H35 (1)
Stoich.:	AB2C2D5E25F35 (1)
Weight, g/mol:	425.220223
ΔH_f, kcal/mol:	-49.89
Dipole, Da:	5.19
IP(EA), eV:	-8.68(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-[4-[1-(4-phenylphenyl)ethylideneamino]oxybutyl]-1,3-dioxane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)NC(C3=CSC=C3)C(=O)CN(C)C)Cl)Cl

DOS

IR

Vibrations