Geometry & MOs

Info

ID:

83526

PubChem CID:

49857703

Reduced:

BN3O5C35H42 (1)

Stoich.:

AB3C5D35E42 (1)

Weight, g/mol:

325.163771

ΔHf, kcal/mol:

-222.16

Dipole, Da:

7.6

IP(EA), eV:

 -9.08(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1-nitrosoethylidene)-1,3-dihydroimidazole

Drug info:

PubChemData

Smile

B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CC4=CC=C(C=C4)C)NC(=O)CC(C5=CC(=CC=C5)OC)NC(=O)C6=CN=CC=C6

DOS

IR

Vibrations