Geometry & MOs

Info

ID:	70159
PubChem CID:	47208200
Reduced:	BrSN2O2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	255.0707
ΔH_f, kcal/mol:	-55.13
Dipole, Da:	3.74
IP(EA), eV:	-9.03(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(2,6-difluorophenyl)prop-2-enoylamino]acetate

Drug info:

PubChemData

Smile

CC(C)C(=O)NNC(=O)CCSC1=CC=CC=C1Br

DOS

IR

Vibrations