Geometry & MOs

Info

ID:	128917
PubChem CID:	51063624
Reduced:	OSN3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	317.058549
ΔH_f, kcal/mol:	-20.26
Dipole, Da:	4.58
IP(EA), eV:	-8.8(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chlorobutanoylamino)phenyl] 4-chlorobutanoate

Drug info:

PubChemData

Smile

CC1(CCC1)NC(=O)CSC2=NC=CN2C

DOS

IR

Vibrations