Geometry & MOs

Info

ID:	50024
PubChem CID:	11538848
Reduced:	O2C13H18 (2)
Stoich.:	A2B13C18 (2)
Weight, g/mol:	412.049585
ΔH_f, kcal/mol:	-113.56
Dipole, Da:	2.38
IP(EA), eV:	-8.51(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(3-chloro-N-(3-nitrophenyl)sulfonylanilino)acetate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC/C(=C/COC1=C(C=C(C=C1OC)/C=C/C=O)OC)/C)/C)C

DOS

IR

Vibrations