Geometry & MOs

Info

ID:	212263
PubChem CID:	81059954
Reduced:	SN3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	308.167083
ΔH_f, kcal/mol:	-14.82
Dipole, Da:	3.79
IP(EA), eV:	-8.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-3-[(3-carbamothioyl-2,6-dimethylpyridin-4-yl)amino]propanamide

Drug info:

PubChemData

Smile

CCC1CCC(CC1)CNC2=C(C(=NC(=C2)C)C)C(=S)N

DOS

IR

Vibrations