Geometry & MOs

Info

ID:	194249
PubChem CID:	78503657
Reduced:	ClFNO5H17C19 (1)
Stoich.:	ABCD5E17F19 (1)
Weight, g/mol:	392.125133
ΔH_f, kcal/mol:	-205.97
Dipole, Da:	4.93
IP(EA), eV:	-9.55(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[(4-chlorobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)C1=CC(=C(C=C1)OC)F)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations