Geometry & MOs

Info

ID:

81394

PubChem CID:

49854677

Reduced:

FSN4O5H21C23 (1)

Stoich.:

ABC4D5E21F23 (1)

Weight, g/mol:

415.167811

ΔHf, kcal/mol:

-121.56

Dipole, Da:

9.2

IP(EA), eV:

 -8.8(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-1-N-(12-tert-butyl-8-oxa-3-thia-5,11-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-4-yl)-3-methylpyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2=CC=C(C=C2)OC3=C(C=CC(=C3)OC(C)COC)C(=O)NC4=NC(=CS4)F

DOS

IR

Vibrations