Geometry & MOs

Info

ID:	33405
PubChem CID:	7886289
Reduced:	SN2O3H18C22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	416.077696
ΔH_f, kcal/mol:	-27.97
Dipole, Da:	5.47
IP(EA), eV:	-8.8(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N'-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]benzohydrazide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations