Geometry & MOs

Info

ID:	27840
PubChem CID:	823832
Reduced:	ClOSN2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	338.046746
ΔH_f, kcal/mol:	-41.2
Dipole, Da:	5.12
IP(EA), eV:	-8.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations