Geometry & MOs

Info

ID:	14420
PubChem CID:	411057
Reduced:	SN2C10H14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	194.08777
ΔH_f, kcal/mol:	20.34
Dipole, Da:	2.41
IP(EA), eV:	-9.02(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylphenyl)methyl carbamimidothioate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CSC(=N)N)C

DOS

IR

Vibrations