Geometry & MOs

Info

ID:	448563
PubChem CID:	135291884
Reduced:	N4O7C18H20 (1)
Stoich.:	A4B7C18D20 (1)
Weight, g/mol:	442.169978
ΔH_f, kcal/mol:	-109.15
Dipole, Da:	3.87
IP(EA), eV:	-9.38(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3,4-diacetyloxy-5-[3-[1-(2-methylhydrazinyl)ethyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC=CC=CON=C1CN2C(=O)C=CN(C2=O)C3C(C(C(O3)CO)O)N=O

DOS

IR

Vibrations