Geometry & MOs

Info

ID:

313387

PubChem CID:

126614289

Reduced:

SN3H33C45 (1)

Stoich.:

AB3C33D45 (1)

Weight, g/mol:

579.231063

ΔHf, kcal/mol:

194.64

Dipole, Da:

2.44

IP(EA), eV:

 -8.09(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC3=C(S2)C=CC4=C3C5=C(C=C4)C=C(C=C5)C6NC(C=C(N6)C7=CC8=CC=CC=C8C=C7)C9=CC1=CC=CC=C1C=C9

DOS

IR

Vibrations