Geometry & MOs

Info

ID:	167962
PubChem CID:	74906350
Reduced:	N4O5H30C33 (1)
Stoich.:	A4B5C30D33 (1)
Weight, g/mol:	522.054941
ΔH_f, kcal/mol:	7.56
Dipole, Da:	4.9
IP(EA), eV:	-8.36(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=C(O2)C=CC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C=CC5=CC=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations