Geometry & MOs

Info

ID:	68388
PubChem CID:	46508321
Reduced:	FOSN5C22H22 (1)
Stoich.:	ABCD5E22F22 (1)
Weight, g/mol:	458.108248
ΔH_f, kcal/mol:	5.61
Dipole, Da:	3.88
IP(EA), eV:	-9.23(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

Drug info:

PubChemData

Smile

CC1=NN2C(=N1)C3=CC=CC=C3N=C2SCC(=O)NC(C4=CC=C(C=C4)F)C(C)C

DOS

IR

Vibrations