Geometry & MOs

Info

ID:	38334
PubChem CID:	8030656
Reduced:	SO2N4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	411.088892
ΔH_f, kcal/mol:	10.15
Dipole, Da:	1.76
IP(EA), eV:	-9.07(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] 2-nitrobenzoate

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations