Geometry & MOs

Info

ID:	168452
PubChem CID:	74969399
Reduced:	NSO9C13H13 (1)
Stoich.:	ABC9D13E13 (1)
Weight, g/mol:	448.156912
ΔH_f, kcal/mol:	-313.16
Dipole, Da:	4.05
IP(EA), eV:	-10.33(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-carbamimidoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2C(C(=CC(=O)OC)C2=O)S(=O)(=O)C1)C(=O)O

DOS

IR

Vibrations