Geometry & MOs

Info

ID:

328224

PubChem CID:

126699941

Reduced:

ON2C7H8 (3)

Stoich.:

AB2C7D8 (3)

Weight, g/mol:

446.206639

ΔHf, kcal/mol:

-28.56

Dipole, Da:

3.08

IP(EA), eV:

 -8.29(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)CO)C2=NC3=C4N2CCCOC4=CC(=C3)N[C@@H](C5CC5)C(=O)N

DOS

IR

Vibrations