Geometry & MOs

Info

ID:	27868
PubChem CID:	823945
Reduced:	OSN2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	-53.9
Dipole, Da:	3.69
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations