Geometry & MOs

Info

ID:	330873
PubChem CID:	127248280
Reduced:	SN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	418.203862
ΔH_f, kcal/mol:	-139.44
Dipole, Da:	7.99
IP(EA), eV:	-9.05(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-[1-(2-methoxy-2-methylpropanoyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N(C)CCO)OC

DOS

IR

Vibrations