Geometry & MOs

Info

ID:	425961
PubChem CID:	135133657
Reduced:	ClFSN2O5C24H26 (1)
Stoich.:	ABCD2E5F24G26 (1)
Weight, g/mol:	291.00703
ΔH_f, kcal/mol:	-238.72
Dipole, Da:	2.96
IP(EA), eV:	-9.28(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](C(=O)N(C2=C(S1)C=C(C(=C2)C(=O)OC)F)CC3=CC=C(C=C3)Cl)NC(=O)OC(C)(C)C

DOS

IR

Vibrations