Geometry & MOs

Info

ID:	128108
PubChem CID:	51031630
Reduced:	SO2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	578.262816
ΔH_f, kcal/mol:	-30.0
Dipole, Da:	6.78
IP(EA), eV:	-9.35(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,7S)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-8-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooct-4-ynoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(S1)/C=C(\C2=CC=CC=C2)/C(=O)O

DOS

IR

Vibrations