Geometry & MOs

Info

ID:	226161
PubChem CID:	87325992
Reduced:	NSO3C9H11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	253.086957
ΔH_f, kcal/mol:	-103.42
Dipole, Da:	6.53
IP(EA), eV:	-9.81(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(4-chloro-2,6-dimethylanilino)but-2-enoate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(CC=O)C(=O)O

DOS

IR

Vibrations