Geometry & MOs

Info

ID:	431884
PubChem CID:	135172005
Reduced:	O3N4C28H38 (1)
Stoich.:	A3B4C28D38 (1)
Weight, g/mol:	494.21184
ΔH_f, kcal/mol:	-84.88
Dipole, Da:	5.61
IP(EA), eV:	-8.46(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-[(3-chloro-1,2,4-thiadiazol-5-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)C#N

DOS

IR

Vibrations