Geometry & MOs

Info

ID:	330933
PubChem CID:	127248340
Reduced:	SO3N5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	429.129317
ΔH_f, kcal/mol:	-52.04
Dipole, Da:	2.47
IP(EA), eV:	-9.2(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations