Geometry & MOs

Info

ID:	405547
PubChem CID:	135074445
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	301.11365
ΔH_f, kcal/mol:	-59.91
Dipole, Da:	1.65
IP(EA), eV:	-9.55(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(oxo-phenyl-propan-2-yl-lambda6-sulfanylidene)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)/C(=N\OC)/C1=CC=CC=C1

DOS

IR

Vibrations