Geometry & MOs

Info

ID:	431725
PubChem CID:	135171821
Reduced:	SN4O4C26H30 (1)
Stoich.:	AB4C4D26E30 (1)
Weight, g/mol:	457.249605
ΔH_f, kcal/mol:	-89.51
Dipole, Da:	9.65
IP(EA), eV:	-8.86(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[(6-chloropyridin-3-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations