Geometry & MOs

Info

ID:

146372

PubChem CID:

53677360

Reduced:

SN3O7C23H23 (1)

Stoich.:

AB3C7D23E23 (1)

Weight, g/mol:

584.010742

ΔHf, kcal/mol:

-156.37

Dipole, Da:

7.92

IP(EA), eV:

 -9.65(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trichloroethyl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-diethoxyphosphoryloxybut-2-enoate

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)C(C2=O)(NC(=O)CC3=CC=CC=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O)C

DOS

IR

Vibrations