Geometry & MOs

Info

ID:	397451
PubChem CID:	135030236
Reduced:	BrClO8N9C29H33 (1)
Stoich.:	ABC8D9E29F33 (1)
Weight, g/mol:	338.091925
ΔH_f, kcal/mol:	-291.44
Dipole, Da:	9.68
IP(EA), eV:	-9.13(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dimethoxy-2-phenylphenyl) dimethyl phosphate

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)NCC(=O)NC2CNC(=O)[C@@H](NC(=O)[C@H](CNC(=O)[C@@H](NC2=O)CC(=O)N)O)CC3=CNC4=C3C=C(C=C4)Br)Cl

DOS

IR

Vibrations