Geometry & MOs

Info

ID:	20556
PubChem CID:	584584
Reduced:	SO2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-38.41
Dipole, Da:	4.47
IP(EA), eV:	-9.18(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclohexyl-N-[(3-methoxybenzoyl)amino]carbamimidothioic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)NNC(=NC2CCCCC2)S

DOS

IR

Vibrations