Geometry & MOs

Info

ID:

185301

PubChem CID:

77282898

Reduced:

N3P3O21C29H48 (1)

Stoich.:

A3B3C21D29E48 (1)

Weight, g/mol:

368.079055

ΔHf, kcal/mol:

-1105.04

Dipole, Da:

8.71

IP(EA), eV:

 -8.28(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-amino-2-(4-carbamoylphenyl)acetyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid

Drug info:

PubChemData

Smile

CCN(CC)CC.C1CN(C(=O)N(C1=O)CC(=O)C2=CC=CC=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

DOS

IR

Vibrations