Geometry & MOs

Info

ID:	32018
PubChem CID:	4252750
Reduced:	ClOSN2H17C20 (1)
Stoich.:	ABCD2E17F20 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	36.85
Dipole, Da:	3.33
IP(EA), eV:	-8.87(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentyl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate

Drug info:

PubChemData

Smile

CCC1=C(N=C(S1)NC(=O)C=CC2=CC=CC=C2Cl)C3=CC=CC=C3

DOS

IR

Vibrations