Geometry & MOs

Info

ID:	154389
PubChem CID:	56313812
Reduced:	ClN2O2C22H27 (1)
Stoich.:	AB2C2D22E27 (1)
Weight, g/mol:	497.07503
ΔH_f, kcal/mol:	-78.28
Dipole, Da:	3.93
IP(EA), eV:	-9.25(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCCC(C)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations