Geometry & MOs

Info

ID:	14980
PubChem CID:	425828
Reduced:	SN2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	236.13472
ΔH_f, kcal/mol:	0.51
Dipole, Da:	3.0
IP(EA), eV:	-8.71(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,4,5,6-pentamethylphenyl)methyl carbamimidothioate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C)C)CSC(=N)N)C)C

DOS

IR

Vibrations