Geometry & MOs

Info

ID:	386065
PubChem CID:	134980678
Reduced:	C7H11 (2)
Stoich.:	A7B11 (2)
Weight, g/mol:	726.282231
ΔH_f, kcal/mol:	73.07
Dipole, Da:	0.49
IP(EA), eV:	-8.55(1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-O-benzyl 1-O-[2-(4-methylphenyl)sulfonyloxyethyl] (2S,7S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-(phenylmethoxycarbonylamino)octanedioate

Drug info:

PubChemData

Smile

CC1(C2(C1(C2)C34CC3(C4(C)C)C)C)C

DOS

IR

Vibrations