Geometry & MOs

Info

ID:	167660
PubChem CID:	74854018
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	408.133111
ΔH_f, kcal/mol:	-61.21
Dipole, Da:	4.03
IP(EA), eV:	-9.0(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-2,2-dichloro-N-(2-methoxyethyl)-1-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=NC(=NC(=O)C2C=C1)CN(CC3CCCO3)CC4=CC=CS4

DOS

IR

Vibrations