Geometry & MOs

Info

ID:	141888
PubChem CID:	52946838
Reduced:	ClON4H13C17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	466.163742
ΔH_f, kcal/mol:	89.73
Dipole, Da:	1.58
IP(EA), eV:	-8.04(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5R,6R)-2-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl-methoxyamino]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C3C(=CNN3)N=C2C4=CC=CC=C4Cl

DOS

IR

Vibrations