Geometry & MOs

Info

ID:

328286

PubChem CID:

126700561

Reduced:

O4N5C30H37 (1)

Stoich.:

A4B5C30D37 (1)

Weight, g/mol:

408.14337

ΔHf, kcal/mol:

-55.22

Dipole, Da:

4.35

IP(EA), eV:

 -8.8(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-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]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)CNC2=C(C(=NC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations