Geometry & MOs

Info

ID:	339137
PubChem CID:	127260516
Reduced:	NO5H11C14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	301.077265
ΔH_f, kcal/mol:	-73.62
Dipole, Da:	9.14
IP(EA), eV:	-9.73(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methanethioylamino)-3-methoxyphenyl]methyl benzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations