Geometry & MOs

Info

ID:	331008
PubChem CID:	127248415
Reduced:	SO3N6C20H24 (1)
Stoich.:	AB3C6D20E24 (1)
Weight, g/mol:	442.17871
ΔH_f, kcal/mol:	-46.67
Dipole, Da:	4.73
IP(EA), eV:	-9.29(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)acetyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NNC(=N1)CC(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NC

DOS

IR

Vibrations