Geometry & MOs

Info

ID:	331064
PubChem CID:	127248471
Reduced:	SN4O5C21H22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	414.14741
ΔH_f, kcal/mol:	-81.13
Dipole, Da:	4.72
IP(EA), eV:	-9.14(-1.3)
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]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NO2)C(=O)N3CCOC(C3)C4=C(SC5=C4C=CC=N5)C(=O)NCCO

DOS

IR

Vibrations