Geometry & MOs

Info

ID:	307630
PubChem CID:	125307825
Reduced:	ClSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-29.37
Dipole, Da:	5.74
IP(EA), eV:	-9.02(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(4-butylphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1)SCCOC2=CC=C(C=C2)Cl

DOS

IR

Vibrations