Geometry & MOs

Info

ID:	165508
PubChem CID:	74559535
Reduced:	BrSN2O4H12C17 (1)
Stoich.:	ABC2D4E12F17 (1)
Weight, g/mol:	272.165054
ΔH_f, kcal/mol:	-135.42
Dipole, Da:	3.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759194
Charge, e:	1

Chem-info

IUPAC name:

(2,5-dimethoxyphenyl)methyl-(1-phenylethyl)azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)[O-])Br

DOS

IR

Vibrations