Geometry & MOs

Info

ID:	330790
PubChem CID:	127248197
Reduced:	SN3O4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	413.152161
ΔH_f, kcal/mol:	-67.91
Dipole, Da:	3.45
IP(EA), eV:	-9.17(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)C4=CC5=CC=CC=C5O4

DOS

IR

Vibrations