Geometry & MOs

Info

ID:	330804
PubChem CID:	127248211
Reduced:	SO3N5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	411.136511
ΔH_f, kcal/mol:	-24.71
Dipole, Da:	3.47
IP(EA), eV:	-9.07(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[1-(pyrazine-2-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)NCCN(C)C

DOS

IR

Vibrations