Geometry & MOs

Info

ID:	432137
PubChem CID:	135172269
Reduced:	I2N3H9C16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	416.224597
ΔH_f, kcal/mol:	145.33
Dipole, Da:	4.97
IP(EA), eV:	-8.88(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-(1,3,4-thiadiazol-2-ylamino)phenyl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)N2C3=C(C=CC=N3)C4=C2N=C(C=C4)I

DOS

IR

Vibrations