Geometry & MOs

Info

ID:	228739
PubChem CID:	87565650
Reduced:	OC30H62 (1)
Stoich.:	AB30C62 (1)
Weight, g/mol:	672.277027
ΔH_f, kcal/mol:	-193.39
Dipole, Da:	2.34
IP(EA), eV:	-10.09(2.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(E)-(4-acetylsulfanyl-1-tritylpiperidin-3-ylidene)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CCCCCCCC)(CCCCCCCC)CO

DOS

IR

Vibrations