Geometry & MOs

Info

ID:	14596
PubChem CID:	415747
Reduced:	PCl2N3O6C34H36 (1)
Stoich.:	AB2C3D6E34F36 (1)
Weight, g/mol:	683.171878
ΔH_f, kcal/mol:	-247.29
Dipole, Da:	6.04
IP(EA), eV:	-8.15(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[4-[[bis(2-chloroethyl)amino-phenoxyphosphoryl]amino]phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C(CC2=CC=C(C=C2)NP(=O)(N(CCCl)CCCl)OC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations