Geometry & MOs

Info

ID:	431927
PubChem CID:	135172054
Reduced:	SF3O3N4C24H35 (1)
Stoich.:	AB3C3D4E24F35 (1)
Weight, g/mol:	452.201275
ΔH_f, kcal/mol:	-263.7
Dipole, Da:	6.91
IP(EA), eV:	-8.88(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-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=C1)N(CCCCCO)CC(C)C)NC2=NC(=NS2)C(F)(F)F

DOS

IR

Vibrations