Geometry & MOs

Info

ID:

327782

PubChem CID:

126691051

Reduced:

N5O8C27H49 (1)

Stoich.:

A5B8C27D49 (1)

Weight, g/mol:

675.234434

ΔHf, kcal/mol:

-406.12

Dipole, Da:

6.84

IP(EA), eV:

 -9.5(0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-phenyl-1,2,3,4-tetrahydropyrimidin-5-amine

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)NCC(=O)O)OC)OC)N(C)C(=O)CNC(=O)C(C)(C)N

DOS

IR

Vibrations