Geometry & MOs

Info

ID:	179256
PubChem CID:	76456375
Reduced:	N2O5C41H48 (1)
Stoich.:	A2B5C41D48 (1)
Weight, g/mol:	408.128114
ΔH_f, kcal/mol:	26.16
Dipole, Da:	7.81
IP(EA), eV:	-8.67(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3,4-dihydroxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC(=O)CN1CCC23C4C1CC5=C2C(=C(C=C5)OC(=O)C)OC3C(CC4)N(CCCCCCC6=CC=CC=C6)CC(=O)C7=CC=CC=C7

DOS

IR

Vibrations