Geometry & MOs

Info

ID:	319582
PubChem CID:	126656709
Reduced:	PSO2N4C18H23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	416.151826
ΔH_f, kcal/mol:	-37.38
Dipole, Da:	5.46
IP(EA), eV:	-8.23(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[[6-(4-ethyl-6-methylsulfonylpyridin-3-yl)oxy-1-methylbenzimidazol-4-yl]amino]methanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)C)NC2=CC3=C(C(=C2)N(C)PC)N=CN3C

DOS

IR

Vibrations