Geometry & MOs

Info

ID:

220005

PubChem CID:

85165135

Reduced:

S2N6O7C28H34 (1)

Stoich.:

A2B6C7D28E34 (1)

Weight, g/mol:

630.310515

ΔHf, kcal/mol:

-256.58

Dipole, Da:

8.22

IP(EA), eV:

 -8.77(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 3-(2-cyclohexyl-6-fluoro-1H-indol-3-yl)-4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C(CC2=C(NC3=CC=CC=C32)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)N

DOS

IR

Vibrations