Geometry & MOs

Info

ID:	433204
PubChem CID:	135173341
Reduced:	NS2O3C12H23 (1)
Stoich.:	AB2C3D12E23 (1)
Weight, g/mol:	310.03169
ΔH_f, kcal/mol:	-122.34
Dipole, Da:	4.12
IP(EA), eV:	-8.24(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-amino-2-[[4-(bromomethyl)phenyl]iminomethyl]prop-2-enoate

Drug info:

PubChemData

Smile

CS(=O)OCC1CCC(CC1)CN2CCCS2=O

DOS

IR

Vibrations