Geometry & MOs

Info

ID:	195393
PubChem CID:	78681720
Reduced:	SO3N4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	347.148121
ΔH_f, kcal/mol:	33.11
Dipole, Da:	5.85
IP(EA), eV:	-9.02(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-acetamido-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CN=C(N)SCC1=NC(=O)C2C=CC(=CC2=N1)C(=O)OC

DOS

IR

Vibrations