Geometry & MOs

Info

ID:	431792
PubChem CID:	135171898
Reduced:	ClN3O3C25H34 (1)
Stoich.:	AB3C3D25E34 (1)
Weight, g/mol:	493.175931
ΔH_f, kcal/mol:	-122.96
Dipole, Da:	7.21
IP(EA), eV:	-8.64(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[2-methylpropyl(propan-2-yl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC(CC1)O)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=CN=C(C=C3)Cl

DOS

IR

Vibrations