Geometry & MOs

Info

ID:

449673

PubChem CID:

135300512

Reduced:

FSO3N8C31H31 (1)

Stoich.:

ABC3D8E31F31 (1)

Weight, g/mol:

989.543348

ΔHf, kcal/mol:

5.21

Dipole, Da:

6.57

IP(EA), eV:

 -8.7(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[[(1S)-4-[[(2S)-1-[[2-[[2-[[2-[[2-[2-[(E)-1-[4-[(2S)-2-amino-4-methyl-3-oxopentyl]phenyl]ethylideneamino]oxyethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-15-oxopentadecanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=CN=CC5=N4)C6=CC(=CC(=C6)CNS(=O)(=O)C)F)/NN3)O

DOS

IR

Vibrations