Geometry & MOs

Info

ID:

325064

PubChem CID:

126679444

Reduced:

FSO4N7C27H36 (1)

Stoich.:

ABC4D7E27F36 (1)

Weight, g/mol:

732.288912

ΔHf, kcal/mol:

-164.78

Dipole, Da:

5.93

IP(EA), eV:

 -8.86(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)C2=NC=C(S2)C3=CC=CC=C3

DOS

IR

Vibrations