Geometry & MOs

Info

ID:

309445

PubChem CID:

126546314

Reduced:

O5N6C33H48 (1)

Stoich.:

A5B6C33D48 (1)

Weight, g/mol:

606.202528

ΔHf, kcal/mol:

-222.98

Dipole, Da:

13.69

IP(EA), eV:

 -8.98(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7R,15S)-15-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-5-methyl-2,5,9-triazatricyclo[14.3.1.02,7]icosa-1(19),16(20),17-trien-8-one

Drug info:

PubChemData

Smile

CCCCCCCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)NC2CC(CC(C2)(C)CNC(=O)NC3=NC(=O)C=C(N3)C)(C)C

DOS

IR

Vibrations