Geometry & MOs

Info

ID:	430980
PubChem CID:	135171050
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	432.198383
ΔH_f, kcal/mol:	-89.91
Dipole, Da:	4.13
IP(EA), eV:	-8.81(-0.96)
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-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN=C(C(=C1)C)N2CCC(CC2)OC3=CN=C(C=C3)OC

DOS

IR

Vibrations