Geometry & MOs

Info

ID:

308947

PubChem CID:

126532453

Reduced:

ClO2F4N6H21C25 (1)

Stoich.:

AB2C4D6E21F25 (1)

Weight, g/mol:

618.31256

ΔHf, kcal/mol:

-184.84

Dipole, Da:

3.23

IP(EA), eV:

 -9.26(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-5-[[4-[[2-[(2-amino-3-methylbutanoyl)amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonylamino]-1-diazonio-6-oxo-6-propan-2-yloxyhex-1-en-2-olate

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(N=C2C(=C1Cl)NC(C3=C(C=CC(=C3)C(=O)N)F)C(F)F)C4=CN=C(N=C4)C(C)(C)O)F

DOS

IR

Vibrations