Geometry & MOs

Info

ID:	309966
PubChem CID:	126571231
Reduced:	O2N4F5H13C15 (1)
Stoich.:	A2B4C5D13E15 (1)
Weight, g/mol:	422.117939
ΔH_f, kcal/mol:	-250.88
Dipole, Da:	5.79
IP(EA), eV:	-9.6(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R,5R)-3-[(4-chloroisoquinolin-5-yl)sulfonimidoyl]-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate

Drug info:

PubChemData

Smile

CC1CN(CC2=C1N(N=C2)C3=C(C=C(C=N3)F)F)C(=O)C(C(F)(F)F)O

DOS

IR

Vibrations