Geometry & MOs

Info

ID:	208821
PubChem CID:	80590282
Reduced:	ClO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-35.43
Dipole, Da:	4.68
IP(EA), eV:	-9.08(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbamothioyl-N-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC(C1)(/C(=N/O)/N)C(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations