Geometry & MOs

Info

ID:

320220

PubChem CID:

126658771

Reduced:

N3O7C28H49 (1)

Stoich.:

A3B7C28D49 (1)

Weight, g/mol:

490.107552

ΔHf, kcal/mol:

-302.91

Dipole, Da:

2.74

IP(EA), eV:

 -9.26(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-2-fluoro-4-[[(8S)-5-(fluoromethyl)-8-methyl-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@H](COC(=O)NCCCCCCN)NC(=O)OC1CC[C@]2(CO2)C(C1OC)[C@@H]3[C@H](O3)CC=C(C)C

DOS

IR

Vibrations