Geometry & MOs

Info

ID:

328276

PubChem CID:

126700503

Reduced:

O3N7H23C24 (1)

Stoich.:

A3B7C23D24 (1)

Weight, g/mol:

419.159354

ΔHf, kcal/mol:

20.12

Dipole, Da:

5.5

IP(EA), eV:

 -8.42(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(2-amino-1,3-benzoxazol-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]oxy]-2-cyclopropylacetamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)N)N1C=C(C=N1)C2=CC3=C4C(=C2)OCCCN4C(=N3)C5=CC6=C(C=C5)OC(=N6)N

DOS

IR

Vibrations