Geometry & MOs

Info

ID:	167957
PubChem CID:	74905597
Reduced:	ClSF3N3O4H23C25 (1)
Stoich.:	ABC3D3E4F23G25 (1)
Weight, g/mol:	371.128821
ΔH_f, kcal/mol:	-228.1
Dipole, Da:	5.66
IP(EA), eV:	-8.76(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[benzyl-[3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=NNC(=O)CN(C2=C(C=CC(=C2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations