Geometry & MOs

Info

ID:	431885
PubChem CID:	135172006
Reduced:	ClSO3N4C24H35 (1)
Stoich.:	ABC3D4E24F35 (1)
Weight, g/mol:	478.294391
ΔH_f, kcal/mol:	-100.17
Dipole, Da:	5.94
IP(EA), eV:	-8.6(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[(5-cyanopyridin-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(=NS3)Cl

DOS

IR

Vibrations