Geometry & MOs

Info

ID:	432058
PubChem CID:	135172190
Reduced:	ClFN3O3C26H35 (1)
Stoich.:	ABC3D3E26F35 (1)
Weight, g/mol:	452.201275
ΔH_f, kcal/mol:	-170.24
Dipole, Da:	5.65
IP(EA), eV:	-8.34(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C)C1=CC(=C(C=C1F)N(CC(C)C)C2CCOCC2)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations