Geometry & MOs

Info

ID:	431018
PubChem CID:	135171088
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	433.193632
ΔH_f, kcal/mol:	2.13
Dipole, Da:	3.16
IP(EA), eV:	-8.31(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(1,3-benzothiazol-2-ylmethylamino)cyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1=CCC=C(C1)N)C(=O)C2=NC(=C(N2)C)/C=C\C

DOS

IR

Vibrations