Geometry & MOs

Info

ID:

186716

PubChem CID:

77472076

Reduced:

ClSSiO4N6C43H51 (1)

Stoich.:

ABCD4E6F43G51 (1)

Weight, g/mol:

461.206304

ΔHf, kcal/mol:

-139.13

Dipole, Da:

3.4

IP(EA), eV:

 -9.03(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N-(2-hydroxyethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)(CCC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O)C(=O)N3CCC(C(C3)NC(=O)C4=NC5=C(S4)CN(CC5)C)NC(=O)C6=CC7=C(N6)C=CC(=C7)Cl

DOS

IR

Vibrations