Geometry & MOs

Info

ID:

170411

PubChem CID:

75230355

Reduced:

BPF2N7O9C36H45 (1)

Stoich.:

ABC2D7E9F36G45 (1)

Weight, g/mol:

445.167794

ΔHf, kcal/mol:

-462.43

Dipole, Da:

6.25

IP(EA), eV:

 -8.22(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3,4-diphenyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaene-5-carboxylate

Drug info:

PubChemData

Smile

[B-]1(N2C(=CC=C2C3=CC=C(C=C3)OC)C=C4[N+]1=C(C(=C4C)CCC(=O)NCCCCCC(=O)NC5CC(OC5COP(=O)(O)O)N6C=CC(=NC6=O)N)C)(F)F

DOS

IR

Vibrations