Geometry & MOs

Info

ID:	61574
PubChem CID:	26710649
Reduced:	ON2S2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	408.252526
ΔH_f, kcal/mol:	48.78
Dipole, Da:	3.48
IP(EA), eV:	-8.85(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantylcarbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)CNC(=O)C3(CC3)C4=CC=CC=C4

DOS

IR

Vibrations