Geometry & MOs

Info

ID:	187757
PubChem CID:	77619558
Reduced:	S2N5H21C27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	221.88
Dipole, Da:	7.2
IP(EA), eV:	-8.74(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyanophenyl)-6-(1-hydroxyethyl)-4-(2-morpholin-4-ylethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C2C(NNC2C3=C1C=CC(=C3)CN4C=NC=N4)C5=CSC(=C5)C#CC6=CC7=CC=CC=C7S6

DOS

IR

Vibrations