Geometry & MOs

Info

ID:	379384
PubChem CID:	134419252
Reduced:	IO3C24H27 (1)
Stoich.:	AB3C24D27 (1)
Weight, g/mol:	451.229348
ΔH_f, kcal/mol:	28.76
Dipole, Da:	2.95
IP(EA), eV:	-8.65(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 11-benzylimino-3-(4-methylphenyl)-2-sulfanylidene-1,3-diazacycloundecane-1-carboxylate

Drug info:

PubChemData

Smile

C/C(=C\C=C(\O)/C=C)/C(I)(/C(=C/C=C(/O)\C=C)/C=C)/C(=C/C=C(/O)\C=C)/C=C

DOS

IR

Vibrations