Geometry & MOs

Info

ID:	242849
PubChem CID:	99213359
Reduced:	FSN2O3C23H27 (1)
Stoich.:	ABC2D3E23F27 (1)
Weight, g/mol:	417.07397
ΔH_f, kcal/mol:	-139.5
Dipole, Da:	5.49
IP(EA), eV:	-9.05(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-bromophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CSC1=CC=CC=C1C(=O)NCC2(CCOCC2)C3=CC(=CC=C3)F

DOS

IR

Vibrations