Geometry & MOs

Info

ID:	336158
PubChem CID:	127255165
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	466.113333
ΔH_f, kcal/mol:	-53.44
Dipole, Da:	3.14
IP(EA), eV:	-8.23(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(1,1-dioxothiazinan-2-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-3-one

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC4=C3C=CN4)OC1

DOS

IR

Vibrations