Geometry & MOs

Info

ID:	157647
PubChem CID:	56436263
Reduced:	SN4O5C24H28 (1)
Stoich.:	AB4C5D24E28 (1)
Weight, g/mol:	485.198442
ΔH_f, kcal/mol:	-137.39
Dipole, Da:	4.64
IP(EA), eV:	-8.97(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)C(=O)[C@H](C)NC3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations