Geometry & MOs

Info

ID:	324031
PubChem CID:	126676787
Reduced:	BrClPN3O9C25H28 (1)
Stoich.:	ABCD3E9F25G28 (1)
Weight, g/mol:	382.82275
ΔH_f, kcal/mol:	-407.57
Dipole, Da:	4.74
IP(EA), eV:	-9.18(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)NP(=O)(OCC1[C@H]([C@@](C(O1)N2C=CC(=O)NC2=O)(Cl)Br)O)OC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations