Geometry & MOs

Info

ID:	330803
PubChem CID:	127248210
Reduced:	SN4O4C21H24 (1)
Stoich.:	AB4C4D21E24 (1)
Weight, g/mol:	441.183461
ΔH_f, kcal/mol:	-66.37
Dipole, Da:	2.98
IP(EA), eV:	-9.19(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations