Geometry & MOs

Info

ID:

433076

PubChem CID:

135173213

Reduced:

O2N4C19H22 (1)

Stoich.:

A2B4C19D22 (1)

Weight, g/mol:

681.31924

ΔHf, kcal/mol:

-35.36

Dipole, Da:

0.66

IP(EA), eV:

 -8.89(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[17-[2-[(2S)-1-phosphanylpyrrolidin-2-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),5,11,14(19),15,17-octaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H]1CCC2=NC3=C(N12)N=C(C=C3)C4=CC(=O)N(C=C4)CC(C)(C)O

DOS

IR

Vibrations