Geometry & MOs

Info

ID:	449388
PubChem CID:	135298229
Reduced:	SN3O5C28H35 (1)
Stoich.:	AB3C5D28E35 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-148.59
Dipole, Da:	11.88
IP(EA), eV:	-9.04(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2-(4-methylcyclohexyl)oxybenzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=C(C=C1)[C@H](CO)NC(=O)C2=CC3=C(C=C2)N(C(=N3)OC4CCC(CC4)C)C5CC5

DOS

IR

Vibrations