Geometry & MOs

Info

ID:	330915
PubChem CID:	127248322
Reduced:	SN3O4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	430.113333
ΔH_f, kcal/mol:	-81.86
Dipole, Da:	3.78
IP(EA), eV:	-9.14(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)N3CCC(C3)C4=C(SC5=C4C=CC=N5)C(=O)NCCO

DOS

IR

Vibrations