Geometry & MOs

Info

ID:	131737
PubChem CID:	51255485
Reduced:	SO3N4H10C15 (1)
Stoich.:	AB3C4D10E15 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-7.53
Dipole, Da:	8.29
IP(EA), eV:	-8.56(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C2=CN=C3N(C2=O)C=CS3)OCC#N

DOS

IR

Vibrations