Geometry & MOs

Info

ID:	132024
PubChem CID:	51293335
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	347.087453
ΔH_f, kcal/mol:	-95.34
Dipole, Da:	3.08
IP(EA), eV:	-9.36(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)CCN2C=NC3=CC=CC=C3C2=O

DOS

IR

Vibrations