Geometry & MOs

Info

ID:	194639
PubChem CID:	78567411
Reduced:	N2O3C26H30 (1)
Stoich.:	A2B3C26D30 (1)
Weight, g/mol:	369.114713
ΔH_f, kcal/mol:	-74.35
Dipole, Da:	7.65
IP(EA), eV:	-8.52(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)OCC(=O)C2=CC3=C(CCCC3)C=C2

DOS

IR

Vibrations