Geometry & MOs

Info

ID:	330861
PubChem CID:	127248268
Reduced:	OSN2C10H12 (2)
Stoich.:	ABC2D10E12 (2)
Weight, g/mol:	428.134068
ΔH_f, kcal/mol:	-13.91
Dipole, Da:	3.91
IP(EA), eV:	-9.02(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations