Geometry & MOs

Info

ID:	379793
PubChem CID:	134464904
Reduced:	F2N8H20C21 (1)
Stoich.:	A2B8C20D21 (1)
Weight, g/mol:	296.094312
ΔH_f, kcal/mol:	49.93
Dipole, Da:	2.88
IP(EA), eV:	-8.58(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(aminomethyl)-4-methoxy-10-prop-2-enoxy-3-thia-5,8,10-triazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)NC2=NC=CC(=C2)C3=CN4C(=CC=N4)C(=C3)NCN5CC(C5)(F)F

DOS

IR

Vibrations