Geometry & MOs

Info

ID:	330951
PubChem CID:	127248358
Reduced:	SN3O4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	439.192963
ΔH_f, kcal/mol:	-140.13
Dipole, Da:	2.86
IP(EA), eV:	-9.22(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)NCCO

DOS

IR

Vibrations