Geometry & MOs

Info

ID:	205614
PubChem CID:	80127372
Reduced:	ClSN2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	236.13472
ΔH_f, kcal/mol:	35.99
Dipole, Da:	4.75
IP(EA), eV:	-8.81(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethylphenyl)methylsulfanyl]butanimidamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CSC2=CC(=C(C=C2)C(=N)N)Cl)C

DOS

IR

Vibrations