Geometry & MOs

Info

ID:	185821
PubChem CID:	77354166
Reduced:	ClSN2O2H9C13 (1)
Stoich.:	ABC2D2E9F13 (1)
Weight, g/mol:	312.172545
ΔH_f, kcal/mol:	21.41
Dipole, Da:	7.09
IP(EA), eV:	-9.27(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenylphenyl) 2-(2-methylbutoxy)propanoate

Drug info:

PubChemData

Smile

C1=CSC=C1C2C(=C3C=C(C=NC3=NC2=O)Cl)CO

DOS

IR

Vibrations