Geometry & MOs

Info

ID:	141889
PubChem CID:	52947195
Reduced:	ClNO3C10H16 (2)
Stoich.:	ABC3D10E16 (2)
Weight, g/mol:	576.200522
ΔH_f, kcal/mol:	-250.85
Dipole, Da:	4.62
IP(EA), eV:	-8.58(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4R,5R)-4,5-diacetyloxy-6-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl-methoxyamino]-2-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CON(CCCC1=CC=C(C=C1)N(CCCl)CCCl)[C@@H]2[C@H]([C@H]([C@H]([C@H](O2)CO)O)O)O

DOS

IR

Vibrations