Geometry & MOs

Info

ID:	192922
PubChem CID:	78325280
Reduced:	SN6O6C18H20 (1)
Stoich.:	AB6C6D18E20 (1)
Weight, g/mol:	381.041375
ΔH_f, kcal/mol:	-135.35
Dipole, Da:	4.8
IP(EA), eV:	-9.45(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,2,2-trichloro-1-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=O)C(=NC(=O)C3=CC=CO3)C(=N2)N

DOS

IR

Vibrations