Geometry & MOs

Info

ID:

309447

PubChem CID:

126546336

Reduced:

FN7C20H22 (1)

Stoich.:

AB7C20D22 (1)

Weight, g/mol:

849.314854

ΔHf, kcal/mol:

58.03

Dipole, Da:

3.65

IP(EA), eV:

 -8.71(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (7R,15S)-15-[[3-[5-chloro-2-(5-chloro-1,2-dihydrotriazol-3-yl)phenyl]-3-oxopropyl]-(2-diethoxyphosphorylacetyl)amino]-8-oxo-2,5,9-triazatricyclo[14.3.1.02,7]icosa-1(19),16(20),17-triene-5-carboxylate

Drug info:

PubChemData

Smile

CC1CC(C1)(CNC2=NC=C(C=N2)C3=NC(=NC=C3C)N)C4=C(C=CC=N4)F

DOS

IR

Vibrations