Geometry & MOs

Info

ID:

219343

PubChem CID:

85098835

Reduced:

N2O2C11H14 (4)

Stoich.:

A2B2C11D14 (4)

Weight, g/mol:

824.454474

ΔHf, kcal/mol:

-320.37

Dipole, Da:

4.34

IP(EA), eV:

 -8.73(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[12-butan-2-yl-16-[3-(diaminomethylideneamino)propyl]-9-[(4-hydroxyphenyl)methyl]-2,6,11,14,15,18-hexaoxo-1,5,10,13,17-pentazabicyclo[17.3.0]docos-7-en-3-yl]amino]-1-oxopropan-2-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)NCCCCC(C(=O)NC(CC(=O)O)C(=O)N(C)C(CC2=CC=CC=C2)C(=O)N)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(C)(C)C

DOS

IR

Vibrations