Geometry & MOs

Info

ID:	29455
PubChem CID:	833907
Reduced:	OSN2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	261.093583
ΔH_f, kcal/mol:	-9.38
Dipole, Da:	3.03
IP(EA), eV:	-8.64(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-cyanophenyl)carbamothioyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations