Geometry & MOs

Info

ID:	406946
PubChem CID:	135078963
Reduced:	NOF2C18H23 (1)
Stoich.:	ABC2D18E23 (1)
Weight, g/mol:	623.224388
ΔH_f, kcal/mol:	-122.41
Dipole, Da:	7.32
IP(EA), eV:	-8.94(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[2-[phenyl(tributylstannyl)methyl]phenyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

CCCCCCCCC#CC1=CC(=C(C=C1NC(=O)C)F)F

DOS

IR

Vibrations