Geometry & MOs

Info

ID:	381597
PubChem CID:	134972380
Reduced:	NSO3H21C24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-38.93
Dipole, Da:	6.3
IP(EA), eV:	-8.83(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-ethyl-2-oxobenzimidazol-1-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations