Geometry & MOs

Info

ID:	189117
PubChem CID:	77819752
Reduced:	O5N6C23H30 (1)
Stoich.:	A5B6C23D30 (1)
Weight, g/mol:	632.17472
ΔH_f, kcal/mol:	-148.93
Dipole, Da:	2.36
IP(EA), eV:	-8.59(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1-[2-[[1-ethoxy-4-(2-iodophenyl)-1-oxobutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCCOCCN1C2=CC(=NC=C2N=C(C1=O)NCC(=O)NCC(C)O)C3=CN=C(C=C3)OC

DOS

IR

Vibrations