Geometry & MOs

Info

ID:	30083
PubChem CID:	839520
Reduced:	SO3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	341.089937
ΔH_f, kcal/mol:	-92.5
Dipole, Da:	6.77
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(cyclopropanecarbonylamino)phenoxy]phthalic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)[C@]2(N(N=C(S2)NC(=O)C)C(=O)C)C

DOS

IR

Vibrations