Geometry & MOs

Info

ID:	242813
PubChem CID:	99206458
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	452.02055
ΔH_f, kcal/mol:	-68.45
Dipole, Da:	6.22
IP(EA), eV:	-8.59(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-[(4-bromophenyl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)N[C@H]3CCCC4=C3C=NN4C(C)(C)C)C

DOS

IR

Vibrations