Geometry & MOs

Info

ID:	128291
PubChem CID:	51037740
Reduced:	N4O7C12H20 (1)
Stoich.:	A4B7C12D20 (1)
Weight, g/mol:	583.316998
ΔH_f, kcal/mol:	-328.93
Dipole, Da:	9.51
IP(EA), eV:	-10.44(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-carbamoyl-5-(6,6-dimethyl-8-oxo-1,3,5,7-tetrahydrofuro[3,4-b]indol-4-yl)-3-fluoroanilino]cyclohexyl] (2S)-2,6-diaminohexanoate

Drug info:

PubChemData

Smile

C(CC(=O)N)[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)N

DOS

IR

Vibrations