Geometry & MOs

Info

ID:	143049
PubChem CID:	53139512
Reduced:	FSO3N4C26H31 (1)
Stoich.:	ABC3D4E26F31 (1)
Weight, g/mol:	425.188546
ΔH_f, kcal/mol:	-117.2
Dipole, Da:	4.34
IP(EA), eV:	-9.16(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)CC3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4F)C

DOS

IR

Vibrations