Geometry & MOs

Info

ID:	168555
PubChem CID:	74988548
Reduced:	O4N5C16H25 (1)
Stoich.:	A4B5C16D25 (1)
Weight, g/mol:	431.216869
ΔH_f, kcal/mol:	-123.68
Dipole, Da:	6.93
IP(EA), eV:	-9.74(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-[4-(N'-hydroxycarbamimidoyl)phenyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCCCCCNC1=NC(=O)C2C(=N1)N(C=N2)C3CC(C(O3)CO)O

DOS

IR

Vibrations