Geometry & MOs

Info

ID:

311137

PubChem CID:

126589579

Reduced:

BrN7O7C24H34 (1)

Stoich.:

AB7C7D24E34 (1)

Weight, g/mol:

440.211136

ΔHf, kcal/mol:

-315.65

Dipole, Da:

10.5

IP(EA), eV:

 -9.42(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(4S)-7-fluoro-8,13-dimethyl-17-oxo-2,16-diazapentacyclo[12.7.0.03,5.04,9.016,21]henicosa-1,6,8,18,20-pentaen-19-yl]-2-hydroxybutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)NCCCC(=O)N)NC(=O)CNC(=O)CNC(=O)CCNC(=O)CBr

DOS

IR

Vibrations