Geometry & MOs

Info

ID:	43332
PubChem CID:	10321142
Reduced:	N2O3C28H30 (1)
Stoich.:	A2B3C28D30 (1)
Weight, g/mol:	442.1021
ΔH_f, kcal/mol:	-53.46
Dipole, Da:	2.22
IP(EA), eV:	-8.38(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylamino)-4-(2-phenylethylsulfanyl)-5-sulfamoylbenzoic acid

Drug info:

PubChemData

Smile

COC(=O)C(CO)C1=C(C2=CC=CC=C2N1)CCN(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations