Geometry & MOs

Info

ID:

433096

PubChem CID:

135173233

Reduced:

ClNH18C24 (1)

Stoich.:

ABC18D24 (1)

Weight, g/mol:

679.30359

ΔHf, kcal/mol:

102.99

Dipole, Da:

3.51

IP(EA), eV:

 -8.93(-0.61)

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),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1C=NC=CC1[C@@]2(C3=C(C4=CC=CC=C42)C(=CC=C3)Cl)C5=CC=CC=C5

DOS

IR

Vibrations