Geometry & MOs

Info

ID:	441314
PubChem CID:	135234100
Reduced:	O2S2N7C17H21 (1)
Stoich.:	A2B2C7D17E21 (1)
Weight, g/mol:	240.068097
ΔH_f, kcal/mol:	31.7
Dipole, Da:	8.36
IP(EA), eV:	-8.39(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(aminocarbamothioyl)-2-(5-methoxypyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NNN(S1)[C@H]2CCC(C2)C3=NN=C(S3)NC(=O)CC4=NC=CC(=C4)OC

DOS

IR

Vibrations