Geometry & MOs

Info

ID:	224937
PubChem CID:	85732279
Reduced:	ClN2H25C27 (1)
Stoich.:	AB2C25D27 (1)
Weight, g/mol:	301.077265
ΔH_f, kcal/mol:	70.0
Dipole, Da:	0.91
IP(EA), eV:	-8.55(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylcarbamoyl)phenyl]sulfanylbenzoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)C3=C(NC(=C3)C4=CC=C(C=C4)Cl)C5=CC=NC=C5

DOS

IR

Vibrations