Geometry & MOs

Info

ID:	436126
PubChem CID:	135193959
Reduced:	O2N3P3F4C7H8 (1)
Stoich.:	A2B3C3D4E7F8 (1)
Weight, g/mol:	364.17467
ΔH_f, kcal/mol:	-424.9
Dipole, Da:	3.03
IP(EA), eV:	-9.71(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-amino-4-hydroxy-3-[[2-[4-[(prop-2-enylcarbamoylamino)methyl]phenyl]acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

COP1(=NP(=NP(=N1)(F)F)(OC2=CC=CC=C2)F)F

DOS

IR

Vibrations