Geometry & MOs

Info

ID:	29369
PubChem CID:	833399
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	264.093249
ΔH_f, kcal/mol:	-33.75
Dipole, Da:	3.43
IP(EA), eV:	-8.84(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)N

DOS

IR

Vibrations