Geometry & MOs

Info

ID:	133604
PubChem CID:	51561368
Reduced:	NO8C27H27 (1)
Stoich.:	AB8C27D27 (1)
Weight, g/mol:	377.995144
ΔH_f, kcal/mol:	-265.61
Dipole, Da:	6.51
IP(EA), eV:	-8.52(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-chloro-2-[(3-nitrobenzoyl)carbamothioylamino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H](CC2=C(C1=O)[C@H](C(=C(N2)C)C(=O)OCC)C3=CC4=C(C=C3)OCO4)C5=CC=CO5

DOS

IR

Vibrations