Geometry & MOs

Info

ID:	27844
PubChem CID:	823845
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	-31.58
Dipole, Da:	3.44
IP(EA), eV:	-8.11(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(naphthalen-1-ylcarbamothioyl)butanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)N(C)C

DOS

IR

Vibrations