Geometry & MOs

Info

ID:	55354
PubChem CID:	17395281
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	285.093583
ΔH_f, kcal/mol:	-91.14
Dipole, Da:	3.49
IP(EA), eV:	-9.35(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C2C=NN(C2=N1)C(C)C)C(=O)OCC(=O)NC(C)C3=CC=CO3

DOS

IR

Vibrations