Geometry & MOs

Info

ID:	195873
PubChem CID:	78744731
Reduced:	NS2O5C14H17 (1)
Stoich.:	AB2C5D14E17 (1)
Weight, g/mol:	315.092915
ΔH_f, kcal/mol:	-181.54
Dipole, Da:	8.98
IP(EA), eV:	-9.65(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(benzylamino)-1-oxopropan-2-yl] 3-thiophen-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)NC(=O)COC(=O)C=CC2=CC=CS2

DOS

IR

Vibrations