Geometry & MOs

Info

ID:

81296

PubChem CID:

49854567

Reduced:

SN4O5C24H24 (1)

Stoich.:

AB4C5D24E24 (1)

Weight, g/mol:

373.120861

ΔHf, kcal/mol:

-72.02

Dipole, Da:

4.96

IP(EA), eV:

 -9.26(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-methyl-1-N-(12-methyl-8-oxa-3-thia-5,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaen-4-yl)pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)C2=CC=C(C=C2)OC3=CC(=CC(=C3)C(=O)NC4=NC=CS4)O[C@@H](C)COC

DOS

IR

Vibrations