Geometry & MOs

Info

ID:	143050
PubChem CID:	53139703
Reduced:	SO2N5C22H27 (1)
Stoich.:	AB2C5D22E27 (1)
Weight, g/mol:	390.208947
ΔH_f, kcal/mol:	-6.31
Dipole, Da:	4.74
IP(EA), eV:	-8.52(-0.4)
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-propan-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)C=C(N2)C(=O)N3CCN(CC3)C4=CC=CC=N4)CN5CCOCC5

DOS

IR

Vibrations