Geometry & MOs

Info

ID:	431952
PubChem CID:	135172080
Reduced:	ClO2N4C25H35 (1)
Stoich.:	AB2C4D25E35 (1)
Weight, g/mol:	489.184387
ΔH_f, kcal/mol:	-65.81
Dipole, Da:	3.43
IP(EA), eV:	-8.53(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]-N-sulfanylbutanamide

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=CN=C(C=N3)Cl

DOS

IR

Vibrations