Geometry & MOs

Info

ID:	170186
PubChem CID:	75205368
Reduced:	OSN3H9C11 (2)
Stoich.:	ABC3D9E11 (2)
Weight, g/mol:	437.129694
ΔH_f, kcal/mol:	56.19
Dipole, Da:	10.95
IP(EA), eV:	-8.9(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-(5-phenylthiophen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)C(=C1NC2=CC=CC=C2S1)C#N)SC3=NN=CN3C4=CC=CC(=C4)NC(=O)C

DOS

IR

Vibrations