Geometry & MOs

Info

ID:	345845
PubChem CID:	127270145
Reduced:	SO3N4C17H24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-116.44
Dipole, Da:	4.08
IP(EA), eV:	-8.8(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-1H-indole-7-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)CN3C=CC=NC3=O

DOS

IR

Vibrations