Geometry & MOs

Info

ID:	164280
PubChem CID:	74382702
Reduced:	N2O3C21H36 (1)
Stoich.:	A2B3C21D36 (1)
Weight, g/mol:	615.191434
ΔH_f, kcal/mol:	-154.22
Dipole, Da:	5.72
IP(EA), eV:	-8.33(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[bis(2-chloroethyl)amino]phenyl]-N-[2-[4-[3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=CC(=C1)N)C(=O)OCC(C(C)CC)N(CC)CC

DOS

IR

Vibrations