Geometry & MOs

Info

ID:	181499
PubChem CID:	76751328
Reduced:	NO5C43H73 (1)
Stoich.:	AB5C43D73 (1)
Weight, g/mol:	413.133376
ΔH_f, kcal/mol:	-353.29
Dipole, Da:	3.94
IP(EA), eV:	-8.28(0.5)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(2-aminoethyldisulfanyl)-1-[4-hydroxy-2-[2-[2-hydroxyethoxy(methanidyl)phosphoryl]ethyl]pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CCC1CC(CN1C(=O)CCCCCCC(=O)OC2=C(C3=C(C(=C2C)C)OC(CC3)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O

DOS

IR

Vibrations