Geometry & MOs

Info

ID:	331013
PubChem CID:	127248420
Reduced:	S2O3N4C20H24 (1)
Stoich.:	A2B3C4D20E24 (1)
Weight, g/mol:	444.128983
ΔH_f, kcal/mol:	-50.71
Dipole, Da:	2.16
IP(EA), eV:	-8.82(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations