Geometry & MOs

Info

ID:	404893
PubChem CID:	135071674
Reduced:	BrFNO2H19C23 (1)
Stoich.:	ABCD2E19F23 (1)
Weight, g/mol:	315.1293
ΔH_f, kcal/mol:	40.28
Dipole, Da:	4.45
IP(EA), eV:	-8.99(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(4-methoxyphenyl)-2-methylsulfanyl-2-phenylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CC2(C(=O)N(CC#C)CC#C)Br)C3=CC=C(C=C3)F

DOS

IR

Vibrations