Geometry & MOs

Info

ID:	150897
PubChem CID:	53790594
Reduced:	N3O5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-178.85
Dipole, Da:	5.69
IP(EA), eV:	-9.14(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-cyano-3-(4-cyanoanilino)-1-cyclopropyl-3-oxoprop-1-enyl] (2S)-2,6-diaminohexanoate

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC=C(C=C2)OCCNCC(COC3=CC=CC4=C3CC(=O)N4)O

DOS

IR

Vibrations