Geometry & MOs

Info

ID:	331078
PubChem CID:	127248485
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	401.152161
ΔH_f, kcal/mol:	-1.96
Dipole, Da:	8.46
IP(EA), eV:	-8.9(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)CC4=CC=NN4C

DOS

IR

Vibrations