Geometry & MOs

Info

ID:	331084
PubChem CID:	127248491
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	444.128983
ΔH_f, kcal/mol:	-91.42
Dipole, Da:	4.52
IP(EA), eV:	-8.6(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N(C)CCO

DOS

IR

Vibrations