Geometry & MOs

Info

ID:

224058

PubChem CID:

85337689

Reduced:

ClN4O4C29H29 (1)

Stoich.:

AB4C4D29E29 (1)

Weight, g/mol:

534.222683

ΔHf, kcal/mol:

-66.14

Dipole, Da:

9.4

IP(EA), eV:

 -8.73(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8-amino-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 6-amino-2-(3-aminopropanoylamino)hexanoate

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=C(C=C1)OC2=C(C(=CC=C2)Cl)C(=O)N)NCC(COC3=CC=CC4=C3C=C(N4)C#N)O

DOS

IR

Vibrations