Geometry & MOs

Info

ID:	183786
PubChem CID:	77070029
Reduced:	ClOSH5C7 (2)
Stoich.:	ABCD5E7 (2)
Weight, g/mol:	297.241627
ΔH_f, kcal/mol:	-32.89
Dipole, Da:	6.53
IP(EA), eV:	-8.99(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(N'-hydroxycarbamimidoyl)-N-(4-methylhexan-2-yl)cycloheptane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SCC2=C(C=CS2)C=CC(=O)O)Cl)Cl

DOS

IR

Vibrations