Geometry & MOs

Info

ID:	330787
PubChem CID:	127248194
Reduced:	SO3N4C22H30 (1)
Stoich.:	AB3C4D22E30 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-90.67
Dipole, Da:	1.42
IP(EA), eV:	-9.08(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[1-(2-methylpropyl)pyrrolidin-3-yl]thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CCN(CC)CC(=O)N1CCC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4

DOS

IR

Vibrations