Geometry & MOs

Info

ID:	140106
PubChem CID:	52648415
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-17.71
Dipole, Da:	3.92
IP(EA), eV:	-8.88(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-3-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC2=NC=CC(=C2)CNC(=O)CCC3=CSC=C3)C

DOS

IR

Vibrations