Geometry & MOs

Info

ID:	27867
PubChem CID:	823942
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	292.160935
ΔH_f, kcal/mol:	-39.15
Dipole, Da:	3.45
IP(EA), eV:	-8.69(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=CC=C1NC(=S)NC(=O)C

DOS

IR

Vibrations