Geometry & MOs

Info

ID:	431715
PubChem CID:	135171811
Reduced:	ClO2N3C27H38 (1)
Stoich.:	AB2C3D27E38 (1)
Weight, g/mol:	486.227632
ΔH_f, kcal/mol:	-89.5
Dipole, Da:	3.72
IP(EA), eV:	-8.28(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations