Geometry & MOs

Info

ID:

442835

PubChem CID:

135256518

Reduced:

FN2O5C26H29 (1)

Stoich.:

AB2C5D26E29 (1)

Weight, g/mol:

670.13577

ΔHf, kcal/mol:

-228.7

Dipole, Da:

7.46

IP(EA), eV:

 -8.83(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(10R,14S)-14-[[3-(6-bromo-3-chloro-2-fluorophenyl)-3-oxopropyl]amino]-10-methyl-9-oxo-8,16-diazatetracyclo[13.6.1.02,7.017,21]docosa-1(22),2(7),3,5,15,17(21)-hexaen-5-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1/C=C/C[C@@H](C2=CC(=C3C(=C2)OCCO3)C4=C(C=CC(=C4)F)NC1=O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations