Geometry & MOs

Info

ID:	164057
PubChem CID:	74381698
Reduced:	FN2O8C29H35 (1)
Stoich.:	AB2C8D29E35 (1)
Weight, g/mol:	430.258006
ΔH_f, kcal/mol:	-348.93
Dipole, Da:	6.94
IP(EA), eV:	-8.38(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[4-[(5-ethylpyrazolidine-3-carbonyl)amino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OC3C2C(CC(C3O)N(CC4=CC=C(C=C4)F)C(=O)C5CCCO5)C(=O)NCCO)CO

DOS

IR

Vibrations