Geometry & MOs

Info

ID:	430790
PubChem CID:	135170857
Reduced:	SN3O3C24H33 (1)
Stoich.:	AB3C3D24E33 (1)
Weight, g/mol:	416.257612
ΔH_f, kcal/mol:	-89.05
Dipole, Da:	4.02
IP(EA), eV:	-8.64(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)cyclohexyl]-6-cyclopropyl-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=CC(=C(N3)C)/C=C(\C)/S(=O)O

DOS

IR

Vibrations