Geometry & MOs

Info

ID:	431874
PubChem CID:	135171995
Reduced:	N3O3C26H41 (1)
Stoich.:	A3B3C26D41 (1)
Weight, g/mol:	486.20248
ΔH_f, kcal/mol:	-160.37
Dipole, Da:	5.33
IP(EA), eV:	-8.51(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]ethylurea

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3CCN(C3)C(=O)C

DOS

IR

Vibrations