Geometry & MOs

Info

ID:	330939
PubChem CID:	127248346
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	411.172896
ΔH_f, kcal/mol:	-0.91
Dipole, Da:	1.95
IP(EA), eV:	-9.19(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)CCO

DOS

IR

Vibrations