Geometry & MOs

Info

ID:	208291
PubChem CID:	80514804
Reduced:	SN3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	318.124943
ΔH_f, kcal/mol:	71.41
Dipole, Da:	3.98
IP(EA), eV:	-8.74(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclopentylmethylcarbamoyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=C(C=CN=N2)CN

DOS

IR

Vibrations