Geometry & MOs

Info

ID:	413198
PubChem CID:	135086144
Reduced:	NO6H17C19 (1)
Stoich.:	AB6C17D19 (1)
Weight, g/mol:	331.061136
ΔH_f, kcal/mol:	-150.29
Dipole, Da:	4.91
IP(EA), eV:	-9.66(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-chlorophenyl)prop-2-enoxycarbonylamino] benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C=CCOC(=O)NOC(=O)C2=CC=CC=C2

DOS

IR

Vibrations