Geometry & MOs

Info

ID:	229984
PubChem CID:	87569818
Reduced:	ClSO3N5C25H34 (1)
Stoich.:	ABC3D5E25F34 (1)
Weight, g/mol:	377.220223
ΔH_f, kcal/mol:	-53.82
Dipole, Da:	7.61
IP(EA), eV:	-8.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[1-(3,4-dimethylphenyl)ethylideneamino]oxypentyl]-2-methyl-1,3-dioxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)N(CC3=CSC=C3)C(=O)C=NOC)C)Cl

DOS

IR

Vibrations