Geometry & MOs

Info

ID:	155273
PubChem CID:	56352856
Reduced:	O2S2N5C19H21 (1)
Stoich.:	A2B2C5D19E21 (1)
Weight, g/mol:	491.07059
ΔH_f, kcal/mol:	6.02
Dipole, Da:	5.84
IP(EA), eV:	-8.54(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-iodo-4,5-dimethoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CC=C1)NC(=O)C(C)N2C(=NNC2=S)C3=CC=CS3

DOS

IR

Vibrations