Geometry & MOs

Info

ID:	285144
PubChem CID:	104098336
Reduced:	BrSN2O2H9C11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	302.058595
ΔH_f, kcal/mol:	47.1
Dipole, Da:	5.5
IP(EA), eV:	-8.82(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-nitrothiophen-2-yl)methyl]-4-(tetrazol-1-yl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCC2=CC=C(S2)[N+](=O)[O-])Br

DOS

IR

Vibrations