Geometry & MOs

Info

ID:	195011
PubChem CID:	78620093
Reduced:	ClOSN3C16H16 (1)
Stoich.:	ABCD3E16F16 (1)
Weight, g/mol:	305.156184
ΔH_f, kcal/mol:	36.92
Dipole, Da:	5.84
IP(EA), eV:	-8.65(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxyphenyl)-3-[(2-methylcyclohexylidene)amino]thiourea

Drug info:

PubChemData

Smile

CC(=NNC(=S)NC1=CC=C(C=C1)OC)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations