Geometry & MOs

Info

ID:	146347
PubChem CID:	53673290
Reduced:	SN2O4C26H34 (1)
Stoich.:	AB2C4D26E34 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-155.7
Dipole, Da:	1.91
IP(EA), eV:	-8.79(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-nitrophenyl) 2-[4-(2-methylpropyl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)CSC)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations