Geometry & MOs

Info

ID:	335679
PubChem CID:	127254541
Reduced:	F3N3O5C22H22 (1)
Stoich.:	A3B3C5D22E22 (1)
Weight, g/mol:	419.187878
ΔH_f, kcal/mol:	-332.95
Dipole, Da:	3.23
IP(EA), eV:	-9.23(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC=C(C=C3)OC(F)(F)F)O

DOS

IR

Vibrations