Geometry & MOs

Info

ID:	218764
PubChem CID:	85089937
Reduced:	SO9C25H30 (1)
Stoich.:	AB9C25D30 (1)
Weight, g/mol:	506.332902
ΔH_f, kcal/mol:	-374.77
Dipole, Da:	7.91
IP(EA), eV:	-9.27(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminoacetyl)-N-[1-[2-(cyclohexylcarbamoyl)pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(CCC1=O)(C(=O)OCC)C(=O)OCC)CC(=CC(=O)O)SC2=CC=CC=C2

DOS

IR

Vibrations