Geometry & MOs

Info

ID:	433668
PubChem CID:	135173808
Reduced:	SO2C7H12 (1)
Stoich.:	AB2C7D12 (1)
Weight, g/mol:	452.151826
ΔH_f, kcal/mol:	-109.3
Dipole, Da:	3.29
IP(EA), eV:	-9.64(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[4-(dimethylamino)phenyl]carbamoylamino]anilino]sulfanyl-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

CCC1C(C(SC1=O)C)O

DOS

IR

Vibrations