Geometry & MOs

Info

ID:	125435
PubChem CID:	50924046
Reduced:	OC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	396.08116
ΔH_f, kcal/mol:	-34.02
Dipole, Da:	4.07
IP(EA), eV:	-9.64(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-chlorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC#C[C@]1(CCC(=O)C[C@]1(C2=CC=CC=C2)O)C

DOS

IR

Vibrations