Geometry & MOs

Info

ID:	34103
PubChem CID:	7889818
Reduced:	NSO4H23C24 (1)
Stoich.:	ABC4D23E24 (1)
Weight, g/mol:	389.00851
ΔH_f, kcal/mol:	-103.02
Dipole, Da:	5.46
IP(EA), eV:	-8.66(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl)methyl 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations