Geometry & MOs

Info

ID:	315951
PubChem CID:	126629480
Reduced:	BrOSN2C18H23 (1)
Stoich.:	ABCD2E18F23 (1)
Weight, g/mol:	614.260371
ΔH_f, kcal/mol:	-0.62
Dipole, Da:	2.76
IP(EA), eV:	-8.78(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-methoxy-N-[(7S,8R,9S)-9-methyl-2-oxo-7-(3-phenylpropyl)-8-[[4-(trifluoromethoxy)phenyl]methyl]oxonan-3-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)C2(NC(=S)C(=N2)C)C3CCC(CC3)OC

DOS

IR

Vibrations