Geometry & MOs

Info

ID:	342554
PubChem CID:	127265709
Reduced:	O2S2N3C15H21 (1)
Stoich.:	A2B2C3D15E21 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-45.73
Dipole, Da:	4.99
IP(EA), eV:	-8.96(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methylpyridin-3-yl)-1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CCNS(=O)(=O)C2=CC=CC(=C2)N

DOS

IR

Vibrations