Geometry & MOs

Info

ID:	59644
PubChem CID:	24891366
Reduced:	NO2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	498.28422
ΔH_f, kcal/mol:	-101.23
Dipole, Da:	7.93
IP(EA), eV:	-8.74(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)/C=C/C3=CC=C(C=C3)O

DOS

IR

Vibrations