Geometry & MOs

Info

ID:	348819
PubChem CID:	127274467
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	396.125612
ΔH_f, kcal/mol:	-118.25
Dipole, Da:	4.82
IP(EA), eV:	-8.68(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)CN3CCCC3=O

DOS

IR

Vibrations