Geometry & MOs

Info

ID:	8711
PubChem CID:	80484
Reduced:	OSN2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	270.082684
ΔH_f, kcal/mol:	18.31
Dipole, Da:	3.06
IP(EA), eV:	-9.21(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-benzoyl-N-(4-methylphenyl)carbamimidothioic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=NC(=O)C2=CC=CC=C2)S

DOS

IR

Vibrations