Geometry & MOs

Info

ID:	366614
PubChem CID:	127320143
Reduced:	SO3N5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	378.263091
ΔH_f, kcal/mol:	-5.41
Dipole, Da:	6.33
IP(EA), eV:	-9.3(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NC(=NO1)C2=CN=CC=C2)C(=O)C3CSCN3C(=O)C4CCC4

DOS

IR

Vibrations