Geometry & MOs

Info

ID:	205841
PubChem CID:	80164833
Reduced:	S2N4O4C11H12 (1)
Stoich.:	A2B4C4D11E12 (1)
Weight, g/mol:	260.087353
ΔH_f, kcal/mol:	-23.71
Dipole, Da:	7.36
IP(EA), eV:	-8.65(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3,5-difluorophenyl)-3H-benzimidazole-2,5-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)NC2=CSC=C2)[N+](=O)[O-])NN

DOS

IR

Vibrations