Geometry & MOs

Info

ID:	330897
PubChem CID:	127248304
Reduced:	SO3N5C22H23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	438.183795
ΔH_f, kcal/mol:	-34.29
Dipole, Da:	4.35
IP(EA), eV:	-9.19(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations