Geometry & MOs

Info

ID:	222871
PubChem CID:	85332825
Reduced:	F2P3N5C12O13H16 (1)
Stoich.:	A2B3C5D12E13F16 (1)
Weight, g/mol:	569.23733
ΔH_f, kcal/mol:	-746.73
Dipole, Da:	8.41
IP(EA), eV:	-9.92(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-5-[(2-methoxybenzoyl)amino]-4-oxopentanoic acid

Drug info:

PubChemData

Smile

C1C2(C1(F)F)C(OC(C2O)N3C=NC4C3=NC(=NC4=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

DOS

IR

Vibrations