Geometry & MOs

Info

ID:	160098
PubChem CID:	57304719
Reduced:	SCl2N2O7C22H22 (1)
Stoich.:	AB2C2D7E22F22 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-245.57
Dipole, Da:	10.77
IP(EA), eV:	-9.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-dimethyl-5-pentylbenzimidazole-2-carbaldehyde

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)O)N(C3=CC(=CC(=C3)Cl)Cl)C(=O)OC

DOS

IR

Vibrations