Geometry & MOs

Info

ID:	195924
PubChem CID:	78749701
Reduced:	NS2O5C16H17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-146.38
Dipole, Da:	8.55
IP(EA), eV:	-9.24(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-(3,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C#CCNC(=O)COC(=O)C1=CC=CC=C1SC2CCS(=O)(=O)C2

DOS

IR

Vibrations