Geometry & MOs

Info

ID:	145764
PubChem CID:	53589549
Reduced:	N3C8H9 (2)
Stoich.:	A3B8C9 (2)
Weight, g/mol:	459.97623
ΔH_f, kcal/mol:	109.2
Dipole, Da:	3.84
IP(EA), eV:	-8.66(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[4-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetyl]amino]ethyl acetate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC3=CC=CC=C3N=C2)CN4C=NC=N4

DOS

IR

Vibrations