Geometry & MOs

Info

ID:	309092
PubChem CID:	126536716
Reduced:	NOC9H11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	507.227966
ΔH_f, kcal/mol:	16.97
Dipole, Da:	3.12
IP(EA), eV:	-8.96(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C=C/C=C\C(=C/C=C)\NC=O

DOS

IR

Vibrations