Geometry & MOs

Info

ID:	208894
PubChem CID:	80601035
Reduced:	NSO2C6H11 (2)
Stoich.:	ABC2D6E11 (2)
Weight, g/mol:	344.01941
ΔH_f, kcal/mol:	-189.58
Dipole, Da:	5.25
IP(EA), eV:	-8.84(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4-nitrophenyl)methyl]-1-(thian-2-yl)methanamine

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)O)S(=O)(=O)NCC2CCCCS2

DOS

IR

Vibrations