Geometry & MOs

Info

ID:	34370
PubChem CID:	7890982
Reduced:	Cl2N2O4H14C19 (1)
Stoich.:	A2B2C4D14E19 (1)
Weight, g/mol:	415.145344
ΔH_f, kcal/mol:	-117.23
Dipole, Da:	2.5
IP(EA), eV:	-8.99(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2=C(C3=CC=CC=C3C=C2)O

DOS

IR

Vibrations