Geometry & MOs

Info

ID:	61640
PubChem CID:	26711309
Reduced:	SN3O5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	457.167142
ΔH_f, kcal/mol:	-164.54
Dipole, Da:	4.41
IP(EA), eV:	-8.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CN=C(C=C2)OC)OC

DOS

IR

Vibrations