Geometry & MOs

Info

ID:	132137
PubChem CID:	51312568
Reduced:	Cl2N3O3C18H21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	338.175419
ΔH_f, kcal/mol:	-115.63
Dipole, Da:	3.49
IP(EA), eV:	-9.44(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)NC(=O)CCC1=NC=C(O1)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations