Geometry & MOs

Info

ID:	8712
PubChem CID:	80485
Reduced:	OSN3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	299.109233
ΔH_f, kcal/mol:	27.83
Dipole, Da:	4.62
IP(EA), eV:	-8.37(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-benzoyl-N-[4-(dimethylamino)phenyl]carbamimidothioic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations