Geometry & MOs

Info

ID:	24980
PubChem CID:	616007
Reduced:	SN2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	232.10342
ΔH_f, kcal/mol:	73.41
Dipole, Da:	4.36
IP(EA), eV:	-8.98(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-prop-2-ynyl-N-(2,4,6-trimethylphenyl)carbamimidothioic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=NCC#C)S)C

DOS

IR

Vibrations