Geometry & MOs

Info

ID:	431703
PubChem CID:	135171799
Reduced:	ClN3O3C27H38 (1)
Stoich.:	AB3C3D27E38 (1)
Weight, g/mol:	487.26017
ΔH_f, kcal/mol:	-122.92
Dipole, Da:	4.69
IP(EA), eV:	-8.34(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[(5-chloropyridin-2-yl)amino]-4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCC(CC2)OC)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations