Geometry & MOs

Info

ID:	432141
PubChem CID:	135172273
Reduced:	O4N6C23H34 (1)
Stoich.:	A4B6C23D34 (1)
Weight, g/mol:	440.224597
ΔH_f, kcal/mol:	-129.86
Dipole, Da:	6.45
IP(EA), eV:	-8.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[bis(2-methylpropyl)amino]-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]phenyl]phenyl]methanediol

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NNC(=N3)C(=O)NC

DOS

IR

Vibrations