Geometry & MOs

Info

ID:	331053
PubChem CID:	127248460
Reduced:	SO3N5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	429.183461
ΔH_f, kcal/mol:	-47.3
Dipole, Da:	3.22
IP(EA), eV:	-8.7(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(2-hydroxyethyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations