Geometry & MOs

Info

ID:	167377
PubChem CID:	74817732
Reduced:	ClNSO4C40H44 (1)
Stoich.:	ABCD4E40F44 (1)
Weight, g/mol:	472.166624
ΔH_f, kcal/mol:	-106.04
Dipole, Da:	6.71
IP(EA), eV:	-8.8(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(3,5-diazido-2-methoxyoxan-4-yl)oxymethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)OC6CCCCO6

DOS

IR

Vibrations