Geometry & MOs

Info

ID:	194440
PubChem CID:	78536387
Reduced:	N2O6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	393.089162
ΔH_f, kcal/mol:	-204.35
Dipole, Da:	3.19
IP(EA), eV:	-8.47(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluoroanilino)-2-oxoethyl] 3-(carbamoylamino)-3-(2-chlorophenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NNC(=O)C)OCC

DOS

IR

Vibrations