Geometry & MOs

Info

ID:	431749
PubChem CID:	135171853
Reduced:	O2N3C13H13 (2)
Stoich.:	A2B3C13D13 (2)
Weight, g/mol:	491.235497
ΔH_f, kcal/mol:	-68.91
Dipole, Da:	3.71
IP(EA), eV:	-8.83(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-[hydroxy(methoxy)methyl]phenyl]anilino]-1,2,4-thiadiazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=C(C=C3C(=C2)C(=CN3CC(=O)OC(C)(C)C)C(=O)C)NC(=O)C4=CN=CN=C4

DOS

IR

Vibrations