Geometry & MOs

Info

ID:	31861
PubChem CID:	3721400
Reduced:	FSN5O6C28H30 (1)
Stoich.:	ABC5D6E28F30 (1)
Weight, g/mol:	294.121572
ΔH_f, kcal/mol:	-228.28
Dipole, Da:	7.13
IP(EA), eV:	-9.86(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-carboxy-2-methylbutyl)carbamoylamino]benzoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2C(=O)NC(CC3=CC=C(C=C3)F)C(=O)N)NC(=O)C4=CC=NC=C4

DOS

IR

Vibrations