Geometry & MOs

Info

ID:	192204
PubChem CID:	78243828
Reduced:	Cl2N2O3H26C29 (1)
Stoich.:	A2B2C3D26E29 (1)
Weight, g/mol:	375.184586
ΔH_f, kcal/mol:	-52.46
Dipole, Da:	6.76
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-fluorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] 6-aminohexanoate

Drug info:

PubChemData

Smile

CC1(CC(=O)C2C(N(C3=CC=CC=C3NC2=C1)C(=O)C4=CC=CC=C4)C5=C(C(=CC(=C5)Cl)Cl)OC)C

DOS

IR

Vibrations