Geometry & MOs

Info

ID:

352

PubChem CID:

2636

Reduced:

S3O7N9C27H37 (1)

Stoich.:

A3B7C9D27E37 (1)

Weight, g/mol:

695.197808

ΔHf, kcal/mol:

-170.72

Dipole, Da:

7.3

IP(EA), eV:

 -8.94(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclohexyloxycarbonyloxyethyl 7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CSC(=N3)N)CSC4=NN=NN4CCN(C)C)OC(=O)OC5CCCCC5

DOS

IR

Vibrations