Geometry & MOs

Info

ID:	431836
PubChem CID:	135171950
Reduced:	SO2N5C26H29 (1)
Stoich.:	AB2C5D26E29 (1)
Weight, g/mol:	388.272593
ΔH_f, kcal/mol:	24.86
Dipole, Da:	9.51
IP(EA), eV:	-9.03(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-(oxetan-3-ylamino)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)O)NC4=NC(=NS4)C#N

DOS

IR

Vibrations