Geometry & MOs

Info

ID:	47157
PubChem CID:	10530025
Reduced:	ClNO4C31H36 (1)
Stoich.:	ABC4D31E36 (1)
Weight, g/mol:	522.213027
ΔH_f, kcal/mol:	-150.17
Dipole, Da:	2.95
IP(EA), eV:	-8.35(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-3-[3-[[5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hept-2-enyl]hydroxylamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1CC(O2)(C)C)NC(=O)C3=CC=C(C=C3)OCCCCCCOC4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations