Geometry & MOs

Info

ID:	443370
PubChem CID:	135258747
Reduced:	ON2F3H23C28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	277.088498
ΔH_f, kcal/mol:	-104.41
Dipole, Da:	7.15
IP(EA), eV:	-8.41(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7S)-4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N=C(O2)CCCC3=CNC4=CC=CC=C43)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations