Geometry & MOs

Info

ID:	170256
PubChem CID:	75213313
Reduced:	N2O8C37H38 (1)
Stoich.:	A2B8C37D38 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-192.87
Dipole, Da:	10.92
IP(EA), eV:	-7.87(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(2-phenylethenylsulfonylamino)acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CC(=O)NC2=CC(=C(C=C2)OCCCOC3=C(C=C(C=C3)NC(=O)C=CC4=CC=C(C=C4)OC)OC)OC

DOS

IR

Vibrations