Geometry & MOs

Info

ID:	217658
PubChem CID:	85088175
Reduced:	O7C21H22 (1)
Stoich.:	A7B21C22 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-205.76
Dipole, Da:	5.28
IP(EA), eV:	-8.75(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzamido-4-(3-ethylsulfanyl-6-methyl-1,2,4-triazinan-5-ylidene)but-2-enoate

Drug info:

PubChemData

Smile

COCOC1=CC(=C(C=C1)C(=O)C=CC2=C(C3=C(C=C2)OCCCO3)OC)O

DOS

IR

Vibrations