Geometry & MOs

Info

ID:	330943
PubChem CID:	127248350
Reduced:	SN4O4C19H26 (1)
Stoich.:	AB4C4D19E26 (1)
Weight, g/mol:	442.17871
ΔH_f, kcal/mol:	-116.51
Dipole, Da:	3.49
IP(EA), eV:	-9.02(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC(=O)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)NCCOC

DOS

IR

Vibrations