Geometry & MOs

Info

ID:	431762
PubChem CID:	135171866
Reduced:	SO3N4C25H38 (1)
Stoich.:	AB3C4D25E38 (1)
Weight, g/mol:	514.245013
ΔH_f, kcal/mol:	-110.85
Dipole, Da:	3.85
IP(EA), eV:	-8.73(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-diamino-3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanimidamide

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NC(=NS3)C(C)C

DOS

IR

Vibrations