Geometry & MOs

Info

ID:	340225
PubChem CID:	127262234
Reduced:	SN2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	346.15037
ΔH_f, kcal/mol:	59.22
Dipole, Da:	3.71
IP(EA), eV:	-8.6(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N,N-bis(2-methylphenyl)carbamimidothioate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C2=CC=CC=C2C)C(=N)SC

DOS

IR

Vibrations