Geometry & MOs

Info

ID:	377157
PubChem CID:	134223195
Reduced:	S2H42C61 (1)
Stoich.:	A2B42C61 (1)
Weight, g/mol:	237.152892
ΔH_f, kcal/mol:	248.21
Dipole, Da:	2.57
IP(EA), eV:	-8.36(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-4-fluoro-2-methylphenyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C=C(C=C2)C3=CC(=CC(=C3)C4=CC=CC=C4)C5=CC=CC=C5)/C=C\C(=C)C6=CC7=C(C=C6)SC8=C7C=C(C=C8)C9=CC(=CC(=C9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations