Geometry & MOs

Info

ID:	447322
PubChem CID:	135282018
Reduced:	ClF3N3O3C23H29 (1)
Stoich.:	AB3C3D3E23F29 (1)
Weight, g/mol:	380.05471
ΔH_f, kcal/mol:	-273.85
Dipole, Da:	5.15
IP(EA), eV:	-9.2(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-bromo-2-(difluoromethyl)pyridin-3-yl]oxy-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C[C@@H](CC(C)(C)OC(=O)N)[C@@H](C(C)(C)C)OC1=C(C=C(C=C1)C2=NC(=NC=C2)C(F)(F)F)Cl

DOS

IR

Vibrations