Geometry & MOs

Info

ID:	431717
PubChem CID:	135171813
Reduced:	FN3C39H72 (1)
Stoich.:	AB3C39D72 (1)
Weight, g/mol:	478.216925
ΔH_f, kcal/mol:	-116.53
Dipole, Da:	1.35
IP(EA), eV:	-7.91(2.45)
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-[cyclohexyl(2-methylpropyl)amino]phenyl]pentanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1C2(CC2)CC(N1C(C)(C)C)CC(C)(C)C3C4CC4C(N3C(C)(C)C)CC(C)(C)C5CC(CN5C(C)(C)C)F

DOS

IR

Vibrations