Geometry & MOs

Info

ID:	138810
PubChem CID:	52428866
Reduced:	NSO4H25C28 (1)
Stoich.:	ABC4D25E28 (1)
Weight, g/mol:	370.978584
ΔH_f, kcal/mol:	-80.63
Dipole, Da:	5.31
IP(EA), eV:	-8.52(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dichlorophenyl)sulfanylethyl 2-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SCCOC(=O)C2=CC3=CC=CC=C3C=C2OC)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations