Geometry & MOs

Info

ID:	230047
PubChem CID:	87569942
Reduced:	ClSN3O3C26H26 (1)
Stoich.:	ABC3D3E26F26 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-62.68
Dipole, Da:	1.94
IP(EA), eV:	-8.78(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-3-(2-methylprop-2-enoylamino)prop-2-enoate

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)N1)SC(=C2C3=CC(=NC=C3)C4=CC(=CC=C4)C(=O)CCl)N5CCOCC5)C

DOS

IR

Vibrations