Geometry & MOs

Info

ID:	232372
PubChem CID:	87576086
Reduced:	SN2O6C11H18 (1)
Stoich.:	AB2C6D11E18 (1)
Weight, g/mol:	309.031647
ΔH_f, kcal/mol:	-245.82
Dipole, Da:	4.22
IP(EA), eV:	-10.01(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=NC(=CO1)COS(=O)(=O)C

DOS

IR

Vibrations