Geometry & MOs

Info

ID:	219974
PubChem CID:	85165103
Reduced:	SBr2N3O4C25H27 (1)
Stoich.:	AB2C3D4E25F27 (1)
Weight, g/mol:	625.237601
ΔH_f, kcal/mol:	-64.35
Dipole, Da:	5.82
IP(EA), eV:	-9.19(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(dipentylamino)-5-oxo-4-[[3-(4-phosphonooxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1(C(N2C(S1(=O)=O)C(C2=O)(Br)Br)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

DOS

IR

Vibrations