Geometry & MOs

Info

ID:

436208

PubChem CID:

135195093

Reduced:

OF3N5H18C21 (1)

Stoich.:

AB3C5D18E21 (1)

Weight, g/mol:

803.400647

ΔHf, kcal/mol:

-54.01

Dipole, Da:

6.35

IP(EA), eV:

 -9.96(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S,4S)-2-[17-[2-[(1R,3S,5S,6R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(F)(F)F)C(=O)N(CC#C)C(C)C2=NC=NN2C3=CC=CC=N3

DOS

IR

Vibrations