Geometry & MOs

Info

ID:	212504
PubChem CID:	81060749
Reduced:	OSN4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	297.129969
ΔH_f, kcal/mol:	4.84
Dipole, Da:	2.84
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1H-inden-5-ylamino)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2=CC=C(C=C2)C(=O)N

DOS

IR

Vibrations