Geometry & MOs

Info

ID:	193335
PubChem CID:	78377443
Reduced:	FN2O4C27H37 (1)
Stoich.:	AB2C4D27E37 (1)
Weight, g/mol:	540.243579
ΔH_f, kcal/mol:	-223.99
Dipole, Da:	1.34
IP(EA), eV:	-9.52(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[2-[(4-fluorophenyl)methyl-[(4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide

Drug info:

PubChemData

Smile

CCC(=O)N(CCC(C)C)CC(=O)N(CC1=CC=C(C=C1)F)CC2=COC3CCCCC3C2=O

DOS

IR

Vibrations