Geometry & MOs

Info

ID:	129752
PubChem CID:	51073721
Reduced:	ClN2O2F3H12C13 (1)
Stoich.:	AB2C2D3E12F13 (1)
Weight, g/mol:	322.152872
ΔH_f, kcal/mol:	-237.19
Dipole, Da:	0.89
IP(EA), eV:	-9.62(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)C(=O)NCC(F)(F)F

DOS

IR

Vibrations