Geometry & MOs

Info

ID:	240795
PubChem CID:	93617611
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-39.55
Dipole, Da:	2.68
IP(EA), eV:	-8.7(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[[6-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCO1)C2=NC=C(C=C2)CNC(=O)C3=C(C=CS3)C

DOS

IR

Vibrations