Geometry & MOs

Info

ID:

242710

PubChem CID:

98461947

Reduced:

N2O5H18C19 (1)

Stoich.:

A2B5C18D19 (1)

Weight, g/mol:

547.141117

ΔHf, kcal/mol:

-179.3

Dipole, Da:

9.04

IP(EA), eV:

 -8.88(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-1-(2-chlorophenyl)-N-[[(2R)-2-(4-methoxyphenyl)-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaen-6-yl]methoxy]methanimine

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)NC3=CC4=C(C=C3)OC(=O)C=C4

DOS

IR

Vibrations