Geometry & MOs

Info

ID:

324847

PubChem CID:

126678469

Reduced:

FSO5N8C25H39 (1)

Stoich.:

ABC5D8E25F39 (1)

Weight, g/mol:

604.14788

ΔHf, kcal/mol:

-228.49

Dipole, Da:

4.06

IP(EA), eV:

 -9.15(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoyl]-N-[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)C2=CSC(=N2)N3CCOCC3

DOS

IR

Vibrations