Geometry & MOs

Info

ID:	330911
PubChem CID:	127248318
Reduced:	SO2N5C24H25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	421.146013
ΔH_f, kcal/mol:	29.94
Dipole, Da:	5.59
IP(EA), eV:	-8.97(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(6-methoxy-2H-chromen-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N)CN5C=CC=N5

DOS

IR

Vibrations