Geometry & MOs

Info

ID:	447398
PubChem CID:	135282598
Reduced:	Cl2F2N3O5H29C30 (1)
Stoich.:	A2B2C3D5E29F30 (1)
Weight, g/mol:	351.02816
ΔH_f, kcal/mol:	-241.22
Dipole, Da:	3.76
IP(EA), eV:	-9.77(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2,6-difluorophenoxy)-(4-methylpentan-2-yl)carbamic acid

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C(=C1)F)[C@@](N(C2=O)CC3=NC=C(C=N3)Cl)(C4=CC=C(C=C4)Cl)O[C@H]5CCOC5)(C6(CCOCC6)F)O

DOS

IR

Vibrations