Geometry & MOs

Info

ID:	159629
PubChem CID:	57288557
Reduced:	N2S2O4C25H34 (1)
Stoich.:	A2B2C4D25E34 (1)
Weight, g/mol:	455.940888
ΔH_f, kcal/mol:	-161.43
Dipole, Da:	4.18
IP(EA), eV:	-8.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,6-dichloro-4,4-bis(2-chloroethyl)hexan-3-yl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2C(=O)C(C(OC2=O)C(C)C)CCC3=CN=C(S3)N

DOS

IR

Vibrations