Geometry & MOs

Info

ID:	62441
PubChem CID:	26719723
Reduced:	FNSO2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	429.118084
ΔH_f, kcal/mol:	-85.3
Dipole, Da:	0.94
IP(EA), eV:	-8.37(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CCSC2=CC=CC=C2F

DOS

IR

Vibrations