Geometry & MOs

Info

ID:	432113
PubChem CID:	135172245
Reduced:	F2N2O2C27H36 (1)
Stoich.:	A2B2C2D27E36 (1)
Weight, g/mol:	428.278741
ΔH_f, kcal/mol:	-175.66
Dipole, Da:	7.29
IP(EA), eV:	-8.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[(4R)-4-methyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NCC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations