Geometry & MOs

Info

ID:	45515
PubChem CID:	10514422
Reduced:	SO5C10H12 (1)
Stoich.:	AB5C10D12 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-176.11
Dipole, Da:	4.53
IP(EA), eV:	-9.7(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-cyano-3-(methylamino)-3-(4-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1[C@@H](OS(=O)(=O)O1)COCC2=CC=CC=C2

DOS

IR

Vibrations