Geometry & MOs

Info

ID:

215465

PubChem CID:

85084776

Reduced:

S2F3N6O7H39C48 (1)

Stoich.:

A2B3C6D7E39F48 (1)

Weight, g/mol:

932.390947

ΔHf, kcal/mol:

-187.26

Dipole, Da:

4.65

IP(EA), eV:

 -9.0(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[6-amino-4-[[2-[[2-amino-5-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[(5-amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8)COC(=O)NCC(F)(F)F

DOS

IR

Vibrations