Geometry & MOs

Info

ID:	330850
PubChem CID:	127248257
Reduced:	SO2N5C23H29 (1)
Stoich.:	AB2C5D23E29 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-7.15
Dipole, Da:	3.17
IP(EA), eV:	-8.93(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=N1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)CCO

DOS

IR

Vibrations