Geometry & MOs

Info

ID:

298988

PubChem CID:

117665414

Reduced:

I4O12N34C71H124 (1)

Stoich.:

A4B12C34D71E124 (1)

Weight, g/mol:

1686.065497

ΔHf, kcal/mol:

-406.86

Dipole, Da:

10.13

IP(EA), eV:

 -8.74(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[(2R)-5-carbamimidamido-1-[[(2R)-5-carbamimidamido-1-[[(2R)-5-carbamimidamido-1-[[(2R)-5-carbamimidamido-1-[[(2R)-5-carbamimidamido-1-[[(2R)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamate

Drug info:

PubChemData

Smile

C=C1C2=C(C(=C(C(=C2I)I)I)I)C(=O)N1CC(=O)NCCCCCC(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCCC(=O)N[C@H](CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N

DOS

IR

Vibrations