Geometry & MOs

Info

ID:	186955
PubChem CID:	77508163
Reduced:	N2F3O3C23H27 (1)
Stoich.:	A2B3C3D23E27 (1)
Weight, g/mol:	511.315855
ΔH_f, kcal/mol:	-259.53
Dipole, Da:	2.53
IP(EA), eV:	-8.97(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-4-(2-propan-2-ylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C2=C(C=C(C=C2F)F)C(CCCNC(=O)O)(C3CCCNC3)O

DOS

IR

Vibrations