Geometry & MOs

Info

ID:	64242
PubChem CID:	29198646
Reduced:	SN4O5C20H22 (1)
Stoich.:	AB4C5D20E22 (1)
Weight, g/mol:	315.085304
ΔH_f, kcal/mol:	-48.43
Dipole, Da:	5.05
IP(EA), eV:	-8.91(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

C1COCCN1[C@@H](CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43

DOS

IR

Vibrations