Geometry & MOs

Info

ID:	426152
PubChem CID:	135141436
Reduced:	N3O3C19H31 (1)
Stoich.:	A3B3C19D31 (1)
Weight, g/mol:	374.121275
ΔH_f, kcal/mol:	-138.81
Dipole, Da:	2.37
IP(EA), eV:	-8.8(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-3-amino-5-(5-ethynyl-2-fluoropyridin-3-yl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1CNCC3(C2)CCOCC3)C(C)CC(=O)OCC

DOS

IR

Vibrations