Geometry & MOs

Info

ID:	447382
PubChem CID:	135282498
Reduced:	BrClO2N3H13C21 (1)
Stoich.:	ABC2D3E13F21 (1)
Weight, g/mol:	314.13972
ΔH_f, kcal/mol:	33.27
Dipole, Da:	2.45
IP(EA), eV:	-9.79(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-5-(5-chloro-3,4-dimethylpyridin-2-yl)oxy-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)Br)C(=O)N1C(C3=CC=C(C=C3)Cl)(C4=NC=C(C=C4)C#N)O

DOS

IR

Vibrations