Geometry & MOs

Info

ID:	331062
PubChem CID:	127248469
Reduced:	SN4O5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	446.162391
ΔH_f, kcal/mol:	-167.61
Dipole, Da:	3.42
IP(EA), eV:	-9.12(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-methyl-3-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)C(=O)CN4CCCC4=O

DOS

IR

Vibrations