Geometry & MOs

Info

ID:	140574
PubChem CID:	52721267
Reduced:	BrSO2N3C19H28 (1)
Stoich.:	ABC2D3E19F28 (1)
Weight, g/mol:	310.047522
ΔH_f, kcal/mol:	-87.27
Dipole, Da:	4.07
IP(EA), eV:	-8.61(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(difluoromethoxy)phenyl]methyl (E)-3-thiophen-3-ylprop-2-enoate

Drug info:

PubChemData

Smile

CCN1CCC[C@@H](C1)NC(=O)[C@@H](CCSC)NC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations