Geometry & MOs

Info

ID:	330872
PubChem CID:	127248279
Reduced:	SN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	405.172228
ΔH_f, kcal/mol:	-138.08
Dipole, Da:	2.18
IP(EA), eV:	-9.12(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[1-(2-methoxy-2-methylpropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations