Geometry & MOs

Info

ID:	85499
PubChem CID:	49876093
Reduced:	ClN4O4H15C16 (1)
Stoich.:	AB4C4D15E16 (1)
Weight, g/mol:	278.93583
ΔH_f, kcal/mol:	-10.18
Dipole, Da:	7.13
IP(EA), eV:	-8.54(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3-bromophenyl)methyl carbamimidothioate;chloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NCC(=O)NN/C=C\2/C=C(C=C(C2=O)[N+](=O)[O-])Cl

DOS

IR

Vibrations