Geometry & MOs

Info

ID:	431718
PubChem CID:	135171814
Reduced:	ClSO2N4C24H35 (1)
Stoich.:	ABC2D4E24F35 (1)
Weight, g/mol:	478.216925
ΔH_f, kcal/mol:	-66.98
Dipole, Da:	7.74
IP(EA), eV:	-8.73(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pentanoate

Drug info:

PubChemData

Smile

CC[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=NC(=NS3)Cl

DOS

IR

Vibrations