Geometry & MOs

Info

ID:	39237
PubChem CID:	8139963
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	404.09736
ΔH_f, kcal/mol:	6.52
Dipole, Da:	7.85
IP(EA), eV:	-8.32(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-[(4-bromobenzoyl)amino]acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCCCOC3=CC=C(C=C3)OC

DOS

IR

Vibrations