Geometry & MOs

Info

ID:	422828
PubChem CID:	135118482
Reduced:	SO2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	373.119319
ΔH_f, kcal/mol:	-6.33
Dipole, Da:	2.91
IP(EA), eV:	-8.99(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-chloro-1-methylindol-2-yl)-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(=O)N[C@@H]1CN(CC2=CC=CC=N2)CC3=NC(=O)C4=C(N3)C=CS4

DOS

IR

Vibrations