Geometry & MOs

Info

ID:	85782
PubChem CID:	49879110
Reduced:	OSN4C29H34 (1)
Stoich.:	ABC4D29E34 (1)
Weight, g/mol:	493.170309
ΔH_f, kcal/mol:	26.8
Dipole, Da:	2.53
IP(EA), eV:	-8.46(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=C(SC3=C2C=CC=N3)C(=O)NCCCN4CCC(CC4)CC5=CC=CC=C5)C

DOS

IR

Vibrations