Geometry & MOs

Info

ID:	330913
PubChem CID:	127248320
Reduced:	S2O3N5C20H21 (1)
Stoich.:	A2B3C5D20E21 (1)
Weight, g/mol:	444.140216
ΔH_f, kcal/mol:	-22.2
Dipole, Da:	1.54
IP(EA), eV:	-9.26(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations