Geometry & MOs

Info

ID:	330979
PubChem CID:	127248386
Reduced:	SN3O4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-81.47
Dipole, Da:	6.19
IP(EA), eV:	-9.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=C(C3=C(S2)N=CC=C3)C4CN(CCO4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations