Geometry & MOs

Info

ID:	218563
PubChem CID:	85089624
Reduced:	N6O7C20H44 (1)
Stoich.:	A6B7C20D44 (1)
Weight, g/mol:	480.317252
ΔH_f, kcal/mol:	-336.17
Dipole, Da:	3.92
IP(EA), eV:	-9.24(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OCCNC(CCCCN)CO)O)N

DOS

IR

Vibrations