Geometry & MOs

Info

ID:

125795

PubChem CID:

50938747

Reduced:

FCl2O2N4H23C25 (1)

Stoich.:

AB2C2D4E23F25 (1)

Weight, g/mol:

656.364596

ΔHf, kcal/mol:

-74.67

Dipole, Da:

6.88

IP(EA), eV:

 -8.32(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,11S,14S)-14-amino-N-[(4S)-4-amino-5-[[(2S)-4-amino-1-hydroxybutan-2-yl]amino]-5-oxopentyl]-11-(3-aminopropyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CC4=C(C=C3)NC(=O)C45CCNCC5)N

DOS

IR

Vibrations