Geometry & MOs

Info

ID:	25348
PubChem CID:	623487
Reduced:	ClO2N5C10H16 (1)
Stoich.:	AB2C5D10E16 (1)
Weight, g/mol:	447.138222
ΔH_f, kcal/mol:	-38.97
Dipole, Da:	4.04
IP(EA), eV:	-9.25(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[[4-[methoxy(methyl)phosphoryl]-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoylamino]propanoate

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)C(=O)OCCCl)N(C)C

DOS

IR

Vibrations