Geometry & MOs

Info

ID:	165905
PubChem CID:	74612427
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	5.23
Dipole, Da:	5.71
IP(EA), eV:	-8.74(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[2-(N-benzyl-4-methoxyanilino)acetyl]-1-(2-methoxyethyl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(CC2NC3C=CSC3C(=O)N2)CC4=CC=CC=C4

DOS

IR

Vibrations