Geometry & MOs

Info

ID:	331004
PubChem CID:	127248411
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-53.58
Dipole, Da:	2.58
IP(EA), eV:	-8.83(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[(3-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations