Geometry & MOs

Info

ID:	431735
PubChem CID:	135171838
Reduced:	NH23C40 (1)
Stoich.:	AB23C40 (1)
Weight, g/mol:	464.201275
ΔH_f, kcal/mol:	188.99
Dipole, Da:	2.36
IP(EA), eV:	-7.98(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=C3C6=CC=CC=C6N5C7=CC=CC8=C7C9=CC=CC1=C9C8=CC=C1

DOS

IR

Vibrations