Geometry & MOs

Info

ID:	308668
PubChem CID:	126522364
Reduced:	FO2N6H25C30 (1)
Stoich.:	AB2C6D25E30 (1)
Weight, g/mol:	348.12407
ΔH_f, kcal/mol:	65.1
Dipole, Da:	6.11
IP(EA), eV:	-8.79(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CC=NC6=N5)C7=CC(=CC(=C7)F)O)/NN4

DOS

IR

Vibrations