Geometry & MOs

Info

ID:	331065
PubChem CID:	127248472
Reduced:	SO3N6C19H22 (1)
Stoich.:	AB3C6D19E22 (1)
Weight, g/mol:	428.16306
ΔH_f, kcal/mol:	-44.22
Dipole, Da:	3.09
IP(EA), eV:	-9.25(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanoyl]morpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CCC(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N

DOS

IR

Vibrations