Geometry & MOs

Info

ID:	436423
PubChem CID:	135201331
Reduced:	ClNF2H6C8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	651.279195
ΔH_f, kcal/mol:	-63.02
Dipole, Da:	4.01
IP(EA), eV:	-8.92(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3S)-3-[[(2S)-2-[[(2S)-4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]-3-methylpentanoyl]amino]-6-ethoxy-6-oxohex-4-enoic acid

Drug info:

PubChemData

Smile

C=CC1=CC(=C(C(=C1N)F)Cl)F

DOS

IR

Vibrations