Geometry & MOs

Info

ID:	154747
PubChem CID:	56314263
Reduced:	FO3N5H20C23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	443.149047
ΔH_f, kcal/mol:	-25.76
Dipole, Da:	6.16
IP(EA), eV:	-8.74(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1=CC2=NN(C(=O)N2C=C1)CCCNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations