Geometry & MOs

Info

ID:	155729
PubChem CID:	56367210
Reduced:	FO3N4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	422.98884
ΔH_f, kcal/mol:	-135.17
Dipole, Da:	5.74
IP(EA), eV:	-9.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2-(4-nitrophenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC(=O)NCC2=CC=NC=C2)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations